1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine

C12H16FN — CID 103724392

IUPAC1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCC1(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FN/c1-12(6-7-12)9-14-8-10-2-4-11(13)5-3-10/h2-5,14H,6-9H2,1H3
InChIKeyOIKVVCUVLFRKRQ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine

1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine (PubChem CID 103724392) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
PubChem CID103724392
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCC1(CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FN/c1-12(6-7-12)9-14-8-10-2-4-11(13)5-3-10/h2-5,14H,6-9H2,1H3
InChIKeyOIKVVCUVLFRKRQ-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
N,N-diethyl-4-[[(1-methylcyclopropyl)methylamino]methyl]aniline
CID 103724362
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate
CID 103923526
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
CID 114125954
1-(4-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984608
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid
CID 114108521
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 107165772
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine (CID 103724392) is 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine is CC1(CNCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine?
The InChIKey is OIKVVCUVLFRKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-12(6-7-12)9-14-8-10-2-4-11(13)5-3-10/h2-5,14H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine?
1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine has a molecular weight of 193.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103724392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).