1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine

C17H27FN2 — CID 64762340

IUPAC1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)Cc2ccccc2F)C1C
InChIInChI=1S/C17H27FN2/c1-13-7-6-10-17(12-19,14(13)2)20(3)11-15-8-4-5-9-16(15)18/h4-5,8-9,13-14H,6-7,10-12,19H2,1-3H3
InChIKeyZELJYCMSCNLMTQ-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.41
Rot. Bonds4

About 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine (PubChem CID 64762340) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine
PubChem CID64762340
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CN)(N(C)Cc2ccccc2F)C1C
InChIInChI=1S/C17H27FN2/c1-13-7-6-10-17(12-19,14(13)2)20(3)11-15-8-4-5-9-16(15)18/h4-5,8-9,13-14H,6-7,10-12,19H2,1-3H3
InChIKeyZELJYCMSCNLMTQ-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64774562
N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline
CID 65045051
1-(aminomethyl)-N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 64762742
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline
CID 64762927
1-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 106872252
1-(aminomethyl)-N-(cyclopentylmethyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64763172
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046188
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N-methyloxolan-3-amine
CID 63335335
1-(aminomethyl)-N-(3-methoxypropyl)-N,2,3-trimethylcyclohexan-1-amine
CID 64762965
1-(2-fluorophenyl)-2,3-dimethylcyclohexan-1-amine
CID 64774969
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853847
6-[[(2-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclohexan-1-one
CID 79852724

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine (CID 64762340) is 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine is CC1CCCC(CN)(N(C)Cc2ccccc2F)C1C.
What is the InChIKey of 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine?
The InChIKey is ZELJYCMSCNLMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13-7-6-10-17(12-19,14(13)2)20(3)11-15-8-4-5-9-16(15)18/h4-5,8-9,13-14H,6-7,10-12,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-fluorophenyl)methyl]-N,2,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64762340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).