N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline

C16H23ClN2 — CID 65384023

IUPACN-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline
SMILESNCC1(Nc2cccc(Cl)c2)CCCC(C2CC2)C1
InChIInChI=1S/C16H23ClN2/c17-14-4-1-5-15(9-14)19-16(11-18)8-2-3-13(10-16)12-6-7-12/h1,4-5,9,12-13,19H,2-3,6-8,10-11,18H2
InChIKeyOSMRITSPJSSJKB-UHFFFAOYSA-N
MW278.83 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline

N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline (PubChem CID 65384023) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline
PubChem CID65384023
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC NameN-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline
SMILESNCC1(Nc2cccc(Cl)c2)CCCC(C2CC2)C1
InChIInChI=1S/C16H23ClN2/c17-14-4-1-5-15(9-14)19-16(11-18)8-2-3-13(10-16)12-6-7-12/h1,4-5,9,12-13,19H,2-3,6-8,10-11,18H2
InChIKeyOSMRITSPJSSJKB-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-3-chloroaniline
CID 107429079
1-(aminomethyl)-N-(3-chlorophenyl)-4-propylcycloheptan-1-amine
CID 65384018
4-(aminomethyl)-N-(3-chlorophenyl)-2-propan-2-yloxan-4-amine
CID 65384648
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloroaniline
CID 65384868
3-(aminomethyl)-N-(3-chlorophenyl)thiolan-3-amine
CID 65384870
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline
CID 65384703
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
[1-(3-chloroanilino)cyclooctyl]methanol
CID 63428436
[1-(3-chloroanilino)cyclohexyl]methanol
CID 61050342
N-[1-(aminomethyl)cyclopentyl]-3-fluoroaniline
CID 65384455
1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
CID 65383824

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline?
The IUPAC name of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline (CID 65384023) is N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline is NCC1(Nc2cccc(Cl)c2)CCCC(C2CC2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline?
The InChIKey is OSMRITSPJSSJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-14-4-1-5-15(9-14)19-16(11-18)8-2-3-13(10-16)12-6-7-12/h1,4-5,9,12-13,19H,2-3,6-8,10-11,18H2.
What are the key properties of N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline?
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline has a molecular weight of 278.83 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-cyclopropylcyclohexyl]-3-chloroaniline is sourced from PubChem (CID 65384023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).