2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine

C20H33N — CID 81035080

IUPAC2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCc1ccccc1CC1CCCCCC1CNC(C)(C)C
InChIInChI=1S/C20H33N/c1-16-10-8-9-11-17(16)14-18-12-6-5-7-13-19(18)15-21-20(2,3)4/h8-11,18-19,21H,5-7,12-15H2,1-4H3
InChIKeyFDSJMVUDOPCBRB-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.12
Rot. Bonds4

About 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine

2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine (PubChem CID 81035080) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
PubChem CID81035080
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine
SMILESCc1ccccc1CC1CCCCCC1CNC(C)(C)C
InChIInChI=1S/C20H33N/c1-16-10-8-9-11-17(16)14-18-12-6-5-7-13-19(18)15-21-20(2,3)4/h8-11,18-19,21H,5-7,12-15H2,1-4H3
InChIKeyFDSJMVUDOPCBRB-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2-bromophenyl)methyl]cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81032970
N-[[2-[(2-chlorophenyl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 81027285
N-[[2-[(2-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033027
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
CID 145268468
N-[[2-[(2-methylphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017088
2-methyl-N-[[2-(2-methylphenyl)cyclopentyl]methyl]propan-2-amine
CID 81028338
N-[[2-[(2-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81027861
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81028492
N-ethyl-2-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 61381447
N-[[2-[(2-fluoro-3-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104795707
N-[2-cyclopentyl-3-(2-methylphenyl)propyl]-2-methylpropan-2-amine
CID 82932886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine (CID 81035080) is 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine is Cc1ccccc1CC1CCCCCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
The InChIKey is FDSJMVUDOPCBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16-10-8-9-11-17(16)14-18-12-6-5-7-13-19(18)15-21-20(2,3)4/h8-11,18-19,21H,5-7,12-15H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine?
2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(2-methylphenyl)methyl]cycloheptyl]methyl]propan-2-amine is sourced from PubChem (CID 81035080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).