(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine

C17H26BrN — CID 81392983

IUPAC(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
SMILESCc1cc(CN[C@H](C)C2CCCCCC2)ccc1Br
InChIInChI=1S/C17H26BrN/c1-13-11-15(9-10-17(13)18)12-19-14(2)16-7-5-3-4-6-8-16/h9-11,14,16,19H,3-8,12H2,1-2H3/t14-/m1/s1
InChIKeyGTOPBKKUNJXTPQ-CQSZACIVSA-N
MW324.31 g/mol
LogP5.21
Rot. Bonds4

About (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine

(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine (PubChem CID 81392983) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
PubChem CID81392983
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine
SMILESCc1cc(CN[C@H](C)C2CCCCCC2)ccc1Br
InChIInChI=1S/C17H26BrN/c1-13-11-15(9-10-17(13)18)12-19-14(2)16-7-5-3-4-6-8-16/h9-11,14,16,19H,3-8,12H2,1-2H3/t14-/m1/s1
InChIKeyGTOPBKKUNJXTPQ-CQSZACIVSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 63477303
(1S)-1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 81384359
(1R)-1-cyclohexyl-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81384987
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1R)-1-cycloheptyl-N-[(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 81391098
N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine
CID 83231090
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
4-[(1-cyclohexylethylamino)methyl]-2,6-dimethylphenol
CID 62405183
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
(1S)-1-cycloheptyl-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81391872

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine?
The IUPAC name of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine (CID 81392983) is (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine.
What is the SMILES notation for (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine?
The canonical SMILES for (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine is Cc1cc(CN[C@H](C)C2CCCCCC2)ccc1Br.
What is the InChIKey of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine?
The InChIKey is GTOPBKKUNJXTPQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26BrN/c1-13-11-15(9-10-17(13)18)12-19-14(2)16-7-5-3-4-6-8-16/h9-11,14,16,19H,3-8,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine?
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine has a molecular weight of 324.31 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-cycloheptylethanamine is sourced from PubChem (CID 81392983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).