1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine

C16H14Cl2F2N2 — CID 162520773

IUPAC1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cnc(C2CC2)c(Cl)c1)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C16H14Cl2F2N2/c1-21-15(10-4-5-12(19)13(18)14(10)20)9-6-11(17)16(22-7-9)8-2-3-8/h4-8,15,21H,2-3H2,1H3
InChIKeyDTIRWIKTNVRTQJ-UHFFFAOYSA-N
MW343.20 g/mol
LogP4.85
Rot. Bonds4

About 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine

1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine (PubChem CID 162520773) has the molecular formula C16H14Cl2F2N2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine
PubChem CID162520773
Molecular FormulaC16H14Cl2F2N2
Molecular Weight343.20 g/mol
Exact Mass342.05
IUPAC Name1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cnc(C2CC2)c(Cl)c1)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C16H14Cl2F2N2/c1-21-15(10-4-5-12(19)13(18)14(10)20)9-6-11(17)16(22-7-9)8-2-3-8/h4-8,15,21H,2-3H2,1H3
InChIKeyDTIRWIKTNVRTQJ-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
(2R)-N-[(3-chloro-2,4-difluorophenyl)-[5-chloro-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166110743
1-(2,5-dichlorophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115797603
N-[(R)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417227
(4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520883
N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417223
(4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520756
N-[(S)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethoxy)-5-fluoro-3-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417256
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62791007
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 106764470
1-(4-chlorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 55134651

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine (CID 162520773) is 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine is CNC(c1cnc(C2CC2)c(Cl)c1)c1ccc(F)c(Cl)c1F.
What is the InChIKey of 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine?
The InChIKey is DTIRWIKTNVRTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2N2/c1-21-15(10-4-5-12(19)13(18)14(10)20)9-6-11(17)16(22-7-9)8-2-3-8/h4-8,15,21H,2-3H2,1H3.
What are the key properties of 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine?
1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine has a molecular weight of 343.20 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-cyclopropyl-3-pyridinyl)-1-(3-chloro-2,4-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 162520773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).