N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine

C17H16F3N — CID 115855352

IUPACN-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccc(F)c(F)c1F)C1CC1c1ccccc1
InChIInChI=1S/C17H16F3N/c1-21-17(11-7-8-14(18)16(20)15(11)19)13-9-12(13)10-5-3-2-4-6-10/h2-8,12-13,17,21H,9H2,1H3
InChIKeyQZHYSUNFPYRWNT-UHFFFAOYSA-N
MW291.32 g/mol
LogP4.17
Rot. Bonds4

About N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine

N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine (PubChem CID 115855352) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
PubChem CID115855352
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC NameN-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccc(F)c(F)c1F)C1CC1c1ccccc1
InChIInChI=1S/C17H16F3N/c1-21-17(11-7-8-14(18)16(20)15(11)19)13-9-12(13)10-5-3-2-4-6-10/h2-8,12-13,17,21H,9H2,1H3
InChIKeyQZHYSUNFPYRWNT-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517836
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105398891
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052597
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052519
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115998083
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105066144
1-(3-ethylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105018905
1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052707
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
N-[(3-fluoro-4-pyridinyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517837
N-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine (CID 115855352) is N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine is CNC(c1ccc(F)c(F)c1F)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is QZHYSUNFPYRWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-21-17(11-7-8-14(18)16(20)15(11)19)13-9-12(13)10-5-3-2-4-6-10/h2-8,12-13,17,21H,9H2,1H3.
What are the key properties of N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine?
N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 291.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 115855352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).