N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine

C16H25FN2 — CID 61445030

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1ccc(CN)cc1F)CC1CCCCC1
InChIInChI=1S/C16H25FN2/c1-19(11-13-5-3-2-4-6-13)12-15-8-7-14(10-18)9-16(15)17/h7-9,13H,2-6,10-12,18H2,1H3
InChIKeyGKXCUTFZWHEXBD-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.30
Rot. Bonds5

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine (PubChem CID 61445030) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
PubChem CID61445030
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine
SMILESCN(Cc1ccc(CN)cc1F)CC1CCCCC1
InChIInChI=1S/C16H25FN2/c1-19(11-13-5-3-2-4-6-13)12-15-8-7-14(10-18)9-16(15)17/h7-9,13H,2-6,10-12,18H2,1H3
InChIKeyGKXCUTFZWHEXBD-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79303970
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methylpropan-1-amine
CID 43270934
4-[[cyclobutylmethyl(methyl)amino]methyl]-3-fluorobenzonitrile
CID 62860429
N-[(2-bromo-4-fluorophenyl)methyl]-1-cyclohexyl-N-methylmethanamine
CID 63458821
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 61444590
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
CID 43373913
5-chloro-2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 63632089
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 102771142
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 65338383
[3-fluoro-4-[[furan-3-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 61421488
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 61414070

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine (CID 61445030) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine is CN(Cc1ccc(CN)cc1F)CC1CCCCC1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine?
The InChIKey is GKXCUTFZWHEXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-19(11-13-5-3-2-4-6-13)12-15-8-7-14(10-18)9-16(15)17/h7-9,13H,2-6,10-12,18H2,1H3.
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-cyclohexyl-N-methylmethanamine is sourced from PubChem (CID 61445030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).