2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine

C18H29ClN2 — CID 63494221

IUPAC2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-4-20-18-9-8-14(2)10-16(18)13-21(3)12-15-6-5-7-17(19)11-15/h5-7,11,14,16,18,20H,4,8-10,12-13H2,1-3H3
InChIKeyYCPDSZFSGPDBGI-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.19
Rot. Bonds6

About 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine

2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 63494221) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID63494221
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H29ClN2/c1-4-20-18-9-8-14(2)10-16(18)13-21(3)12-15-6-5-7-17(19)11-15/h5-7,11,14,16,18,20H,4,8-10,12-13H2,1-3H3
InChIKeyYCPDSZFSGPDBGI-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 55188048
2-[[benzyl(methyl)amino]methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63483230
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine
CID 62610200
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62611190
N-ethyl-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]oxan-4-amine
CID 103059842
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63494407
N-ethyl-4-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62609438
3-[[(3-bromophenyl)methyl-methylamino]methyl]-N-ethyloxan-4-amine
CID 103059502
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
2-(3-chlorophenyl)sulfonyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64676411
N,4-dimethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616435
N-ethyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63482196

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine (CID 63494221) is 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is YCPDSZFSGPDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-4-20-18-9-8-14(2)10-16(18)13-21(3)12-15-6-5-7-17(19)11-15/h5-7,11,14,16,18,20H,4,8-10,12-13H2,1-3H3.
What are the key properties of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine?
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 63494221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).