(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine

C17H27N — CID 81363930

IUPAC(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCC2CCCCCC2)c1
InChIInChI=1S/C17H27N/c1-14-8-7-11-17(12-14)15(2)18-13-16-9-5-3-4-6-10-16/h7-8,11-12,15-16,18H,3-6,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyYMRBPPHCNKLTFQ-OAHLLOKOSA-N
MW245.41 g/mol
LogP4.62
Rot. Bonds4

About (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine

(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine (PubChem CID 81363930) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
PubChem CID81363930
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCC2CCCCCC2)c1
InChIInChI=1S/C17H27N/c1-14-8-7-11-17(12-14)15(2)18-13-16-9-5-3-4-6-10-16/h7-8,11-12,15-16,18H,3-6,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyYMRBPPHCNKLTFQ-OAHLLOKOSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-(cyclopentylmethyl)-1-(3-methylphenyl)ethanamine
CID 81364259
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
(1S)-1-(3-chlorophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81366631
1-(3-methylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107295474
3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
(1S)-1-(3-methylphenyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897573
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43215868

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine (CID 81363930) is (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine is Cc1cccc([C@@H](C)NCC2CCCCCC2)c1.
What is the InChIKey of (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is YMRBPPHCNKLTFQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N/c1-14-8-7-11-17(12-14)15(2)18-13-16-9-5-3-4-6-10-16/h7-8,11-12,15-16,18H,3-6,9-10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine?
(1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(cycloheptylmethyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81363930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).