N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline

C16H25FN2 — CID 64762944

IUPACN-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline
SMILESCC1CCC(CN)(N(C)c2cccc(F)c2)C(C)C1
InChIInChI=1S/C16H25FN2/c1-12-7-8-16(11-18,13(2)9-12)19(3)15-6-4-5-14(17)10-15/h4-6,10,12-13H,7-9,11,18H2,1-3H3
InChIKeyDGTGRQKSVAUZMA-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.42
Rot. Bonds3

About N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline

N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline (PubChem CID 64762944) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline
PubChem CID64762944
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline
SMILESCC1CCC(CN)(N(C)c2cccc(F)c2)C(C)C1
InChIInChI=1S/C16H25FN2/c1-12-7-8-16(11-18,13(2)9-12)19(3)15-6-4-5-14(17)10-15/h4-6,10,12-13H,7-9,11,18H2,1-3H3
InChIKeyDGTGRQKSVAUZMA-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N,4-dimethylaniline
CID 64763127
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-butylaniline
CID 64754111
N-[1-(aminomethyl)-2,5-dimethylcyclohexyl]-3-methoxy-N-methylaniline
CID 64762934
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-N-ethyl-3-fluoroaniline
CID 64762927
1-(3-fluorophenyl)-2,4-dimethylcyclohexan-1-ol
CID 64756021
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-3-fluoro-N-methylaniline
CID 79848165
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-ethyl-4-methylaniline
CID 64762938
N-[(2-amino-5-methylcyclohexyl)methyl]-3-fluoro-N-methylaniline
CID 62611386
1-(aminomethyl)-N-(3-fluorophenyl)-N,3-dimethylcyclobutane-1-carboxamide
CID 80588473
N-[1-(aminomethyl)-2-methylcyclopentyl]-2-fluoro-N-methylaniline
CID 65045051
[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 66071209
1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
CID 64818513

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline (CID 64762944) is N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline is CC1CCC(CN)(N(C)c2cccc(F)c2)C(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline?
The InChIKey is DGTGRQKSVAUZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12-7-8-16(11-18,13(2)9-12)19(3)15-6-4-5-14(17)10-15/h4-6,10,12-13H,7-9,11,18H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline?
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline has a molecular weight of 264.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 64762944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).