N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline

C15H23ClN2 — CID 65378135

IUPACN-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline
SMILESCCC1CCCC(CN)(Nc2ccccc2Cl)C1
InChIInChI=1S/C15H23ClN2/c1-2-12-6-5-9-15(10-12,11-17)18-14-8-4-3-7-13(14)16/h3-4,7-8,12,18H,2,5-6,9-11,17H2,1H3
InChIKeyFYQZQXLWVSDKAH-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline

N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline (PubChem CID 65378135) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline
PubChem CID65378135
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC NameN-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline
SMILESCCC1CCCC(CN)(Nc2ccccc2Cl)C1
InChIInChI=1S/C15H23ClN2/c1-2-12-6-5-9-15(10-12,11-17)18-14-8-4-3-7-13(14)16/h3-4,7-8,12,18H,2,5-6,9-11,17H2,1H3
InChIKeyFYQZQXLWVSDKAH-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
CID 65383362
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline
CID 107429092
4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine
CID 65377302
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
2-(aminomethyl)-N-(2-chlorophenyl)-1,3-dihydroinden-2-amine
CID 65378129
[1-(2-chloroanilino)-3-propan-2-ylcyclohexyl]methanol
CID 107450317
1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
CID 54891719
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
CID 63760412
4-(aminomethyl)-N-(2-chlorophenyl)-1,1-dioxothian-4-amine
CID 65376469
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
CID 104721732
1-(aminomethyl)-N-cyclohexyl-3-ethylcyclohexan-1-amine
CID 65383479
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline
CID 65384703

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline?
The IUPAC name of N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline (CID 65378135) is N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline is CCC1CCCC(CN)(Nc2ccccc2Cl)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline?
The InChIKey is FYQZQXLWVSDKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-2-12-6-5-9-15(10-12,11-17)18-14-8-4-3-7-13(14)16/h3-4,7-8,12,18H,2,5-6,9-11,17H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline?
N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline has a molecular weight of 266.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline is sourced from PubChem (CID 65378135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).