1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

C18H29ClN2 — CID 63454904

IUPAC1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNC(C)c2cccc(Cl)c2)(N(C)C)C1
InChIInChI=1S/C18H29ClN2/c1-14-7-6-10-18(12-14,21(3)4)13-20-15(2)16-8-5-9-17(19)11-16/h5,8-9,11,14-15,20H,6-7,10,12-13H2,1-4H3
InChIKeyMNORCEXAOMUOBL-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.50
Rot. Bonds5

About 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 63454904) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID63454904
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(CNC(C)c2cccc(Cl)c2)(N(C)C)C1
InChIInChI=1S/C18H29ClN2/c1-14-7-6-10-18(12-14,21(3)4)13-20-15(2)16-8-5-9-17(19)11-16/h5,8-9,11,14-15,20H,6-7,10,12-13H2,1-4H3
InChIKeyMNORCEXAOMUOBL-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-fluorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61210973
N,N,3-trimethyl-1-[(1-thiophen-3-ylethylamino)methyl]cyclohexan-1-amine
CID 55032865
1-(3-chlorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107266180
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
(1S)-1-(3-chlorophenyl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
CID 114223881
1-[[(2,3-dichlorophenyl)methylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 63456138
1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212108
1-[(hex-5-en-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 104581873
N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine
CID 61210795
(1R)-1-(3-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81371851
N-[(1R)-1-(3-chlorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30071409
1-(3-chlorophenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115625455

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 63454904) is 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(CNC(C)c2cccc(Cl)c2)(N(C)C)C1.
What is the InChIKey of 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is MNORCEXAOMUOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-14-7-6-10-18(12-14,21(3)4)13-20-15(2)16-8-5-9-17(19)11-16/h5,8-9,11,14-15,20H,6-7,10,12-13H2,1-4H3.
What are the key properties of 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-chlorophenyl)ethylamino]methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 63454904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).