N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine

C14H14Cl2N2 — CID 65316008

IUPACN-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1cc(Cl)ccc1Cl)c1ccncc1
InChIInChI=1S/C14H14Cl2N2/c1-10(11-4-6-17-7-5-11)18-9-12-8-13(15)2-3-14(12)16/h2-8,10,18H,9H2,1H3
InChIKeyHDWXFCCEGJYIFU-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.24
Rot. Bonds4

About N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine

N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 65316008) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
PubChem CID65316008
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1cc(Cl)ccc1Cl)c1ccncc1
InChIInChI=1S/C14H14Cl2N2/c1-10(11-4-6-17-7-5-11)18-9-12-8-13(15)2-3-14(12)16/h2-8,10,18H,9H2,1H3
InChIKeyHDWXFCCEGJYIFU-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81360024
2,4-dichloro-6-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202255
(1R)-N-[(2-chloro-4-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 106862995
N-[(6-chloro-1H-indol-3-yl)methyl]-1-pyridin-4-ylethanamine
CID 78968571
(1R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405552
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 102615832
1-chloro-N-[(2,5-dichlorophenyl)methyl]-3-methylbutan-2-amine
CID 79244144
N-[(2-fluorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 43178816
(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28643694
N-[(2,5-dichlorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 65316176

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine (CID 65316008) is N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1cc(Cl)ccc1Cl)c1ccncc1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is HDWXFCCEGJYIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-10(11-4-6-17-7-5-11)18-9-12-8-13(15)2-3-14(12)16/h2-8,10,18H,9H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine?
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 281.19 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 65316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).