1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine

C18H29ClN2 — CID 64744863

IUPAC1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)C(C)c2cccc(Cl)c2)CC1C
InChIInChI=1S/C18H29ClN2/c1-13-8-9-18(12-20,11-14(13)2)21(4)15(3)16-6-5-7-17(19)10-16/h5-7,10,13-15H,8-9,11-12,20H2,1-4H3
InChIKeyYUOJZIRCUICLDL-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.49
Rot. Bonds4

About 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine (PubChem CID 64744863) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
PubChem CID64744863
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(CN)(N(C)C(C)c2cccc(Cl)c2)CC1C
InChIInChI=1S/C18H29ClN2/c1-13-8-9-18(12-20,11-14(13)2)21(4)15(3)16-6-5-7-17(19)10-16/h5-7,10,13-15H,8-9,11-12,20H2,1-4H3
InChIKeyYUOJZIRCUICLDL-UHFFFAOYSA-N
XLogP4.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylcyclobutan-1-amine
CID 79520737
4-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,1-dioxothian-4-amine
CID 62979316
1-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N,3,4-trimethylcyclohexan-1-amine
CID 64746825
3-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methylthian-3-amine
CID 62978618
3-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,2-dimethylthian-3-amine
CID 79951528
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylcyclohexan-1-amine
CID 63465615
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N-cyclopropylacetamide
CID 96555027
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 82835310
1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63454904
[1-(aminomethyl)-4-methylcyclohexyl]-(3-chlorophenyl)methanol
CID 79138876
1-(3-chlorophenyl)-N-methyl-N-[(2-methylpyrrolidin-3-yl)methyl]ethanamine
CID 79384551
2-[1-(3-chlorophenyl)ethyl-methylamino]cyclohexan-1-ol
CID 62980621

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine (CID 64744863) is 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine is CC1CCC(CN)(N(C)C(C)c2cccc(Cl)c2)CC1C.
What is the InChIKey of 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine?
The InChIKey is YUOJZIRCUICLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-13-8-9-18(12-20,11-14(13)2)21(4)15(3)16-6-5-7-17(19)10-16/h5-7,10,13-15H,8-9,11-12,20H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,3,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64744863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).