1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine

C15H22FN — CID 114099677

IUPAC1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C15H22FN/c1-3-6-15(7-8-15)11-17-10-13-5-4-12(2)14(16)9-13/h4-5,9,17H,3,6-8,10-11H2,1-2H3
InChIKeyXZYKOHKWUVZKQO-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.80
Rot. Bonds6

About 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine

1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine (PubChem CID 114099677) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
PubChem CID114099677
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C15H22FN/c1-3-6-15(7-8-15)11-17-10-13-5-4-12(2)14(16)9-13/h4-5,9,17H,3,6-8,10-11H2,1-2H3
InChIKeyXZYKOHKWUVZKQO-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267370
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 114757611
1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991560
1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099622
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 99839662
2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 114112982
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(3,4-dimethylphenyl)methanamine
CID 115455557
1-(5-fluoro-3-pyridinyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 104953831
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 55244423
1-N-[(3-fluoro-4-methylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 63646570
N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115868047

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine (CID 114099677) is 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine is CCCC1(CNCc2ccc(C)c(F)c2)CC1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The InChIKey is XZYKOHKWUVZKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-3-6-15(7-8-15)11-17-10-13-5-4-12(2)14(16)9-13/h4-5,9,17H,3,6-8,10-11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine?
1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 114099677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).