1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine

C17H28N2 — CID 64679512

IUPAC1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
SMILESCc1cccc(CN(C)CCC2(N)CCCCC2)c1
InChIInChI=1S/C17H28N2/c1-15-7-6-8-16(13-15)14-19(2)12-11-17(18)9-4-3-5-10-17/h6-8,13H,3-5,9-12,14,18H2,1-2H3
InChIKeyPZRLHFKJTNTPBQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.48
Rot. Bonds5

About 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine

1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine (PubChem CID 64679512) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
PubChem CID64679512
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine
SMILESCc1cccc(CN(C)CCC2(N)CCCCC2)c1
InChIInChI=1S/C17H28N2/c1-15-7-6-8-16(13-15)14-19(2)12-11-17(18)9-4-3-5-10-17/h6-8,13H,3-5,9-12,14,18H2,1-2H3
InChIKeyPZRLHFKJTNTPBQ-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3-chlorophenyl)methyl-methylamino]ethyl]cyclohexan-1-amine
CID 64679518
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916
1-[2-[(3-bromophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679525
1-[2-[benzyl(methyl)amino]ethyl]cyclopentan-1-amine
CID 64678874
1-[2-[benzyl(methyl)amino]ethyl]cyclobutan-1-amine
CID 79842495
1-[2-[methyl(pyridin-3-ylmethyl)amino]ethyl]cyclopentan-1-amine
CID 64677725
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-amine
CID 64679516
2-(1-aminocyclobutyl)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 79854781
1-[2-[methyl(2-thiophen-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 79487873
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
N-methyl-N-[(3-methylphenyl)methyl]pentan-1-amine
CID 71201517

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine (CID 64679512) is 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine is Cc1cccc(CN(C)CCC2(N)CCCCC2)c1.
What is the InChIKey of 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine?
The InChIKey is PZRLHFKJTNTPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15-7-6-8-16(13-15)14-19(2)12-11-17(18)9-4-3-5-10-17/h6-8,13H,3-5,9-12,14,18H2,1-2H3.
What are the key properties of 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine?
1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[(3-methylphenyl)methyl]amino]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64679512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).