2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine

C18H29ClN2 — CID 63494407

IUPAC2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN(C)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C18H29ClN2/c1-13(2)15-7-8-18(20)16(10-15)12-21(3)11-14-5-4-6-17(19)9-14/h4-6,9,13,15-16,18H,7-8,10-12,20H2,1-3H3
InChIKeyCXUODNZHTKWQRP-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.17
Rot. Bonds5

About 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine

2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63494407) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63494407
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN(C)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C18H29ClN2/c1-13(2)15-7-8-18(20)16(10-15)12-21(3)11-14-5-4-6-17(19)9-14/h4-6,9,13,15-16,18H,7-8,10-12,20H2,1-3H3
InChIKeyCXUODNZHTKWQRP-UHFFFAOYSA-N
XLogP4.17
TPSA29.26 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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62611190
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79485681
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62707768
2-[[cyclopropylmethyl(methyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62709059
2-(3-chlorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014080
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63494221
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 62708961
1-N-[(3-chlorophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61417455
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63494407) is 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(CN(C)Cc2cccc(Cl)c2)C1.
What is the InChIKey of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is CXUODNZHTKWQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-13(2)15-7-8-18(20)16(10-15)12-21(3)11-14-5-4-6-17(19)9-14/h4-6,9,13,15-16,18H,7-8,10-12,20H2,1-3H3.
What are the key properties of 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.17, 5 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]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63494407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).