N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline

C18H29FN2 — CID 65382978

IUPACN-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline
SMILESCCC(C)(C)C1CCC(CN)(Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H29FN2/c1-4-17(2,3)14-8-10-18(13-20,11-9-14)21-16-7-5-6-15(19)12-16/h5-7,12,14,21H,4,8-11,13,20H2,1-3H3
InChIKeyLYKLFHJNTIWQSC-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.56
Rot. Bonds5

About N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline

N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline (PubChem CID 65382978) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline
PubChem CID65382978
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline
SMILESCCC(C)(C)C1CCC(CN)(Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H29FN2/c1-4-17(2,3)14-8-10-18(13-20,11-9-14)21-16-7-5-6-15(19)12-16/h5-7,12,14,21H,4,8-11,13,20H2,1-3H3
InChIKeyLYKLFHJNTIWQSC-UHFFFAOYSA-N
XLogP4.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
CID 65383824
N-[1-(aminomethyl)cyclopentyl]-3-fluoroaniline
CID 65384455
N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-4-bromoaniline
CID 65383021
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
[1-anilino-4-(2-methylbutan-2-yl)cyclohexyl]methanol
CID 63428039
N-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]-3-methoxyaniline
CID 65377332
3-(aminomethyl)-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 105463150
4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine
CID 65385727
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-4-bromoaniline
CID 65385986
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
1-(aminomethyl)-N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115418694

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline?
The IUPAC name of N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline (CID 65382978) is N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline?
The canonical SMILES for N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline is CCC(C)(C)C1CCC(CN)(Nc2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline?
The InChIKey is LYKLFHJNTIWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-17(2,3)14-8-10-18(13-20,11-9-14)21-16-7-5-6-15(19)12-16/h5-7,12,14,21H,4,8-11,13,20H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline?
N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline has a molecular weight of 292.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-(2-methylbutan-2-yl)cyclohexyl]-3-fluoroaniline is sourced from PubChem (CID 65382978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).