(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine

C19H31NO — CID 81391494

IUPAC(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
SMILESCCCCOc1ccc(CN[C@H](C)C2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-4-14-21-19-12-10-17(11-13-19)15-20-16(2)18-8-6-5-7-9-18/h10-13,16,18,20H,3-9,14-15H2,1-2H3/t16-/m1/s1
InChIKeyCDXBMMDIBFOJHQ-MRXNPFEDSA-N
MW289.46 g/mol
LogP4.92
Rot. Bonds8

About (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine

(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine (PubChem CID 81391494) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
PubChem CID81391494
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
SMILESCCCCOc1ccc(CN[C@H](C)C2CCCCC2)cc1
InChIInChI=1S/C19H31NO/c1-3-4-14-21-19-12-10-17(11-13-19)15-20-16(2)18-8-6-5-7-9-18/h10-13,16,18,20H,3-9,14-15H2,1-2H3/t16-/m1/s1
InChIKeyCDXBMMDIBFOJHQ-MRXNPFEDSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-cyclopentyl-N-[(4-pentoxyphenyl)methyl]ethanamine
CID 81389966
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81388633
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine?
The IUPAC name of (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine (CID 81391494) is (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine.
What is the SMILES notation for (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine?
The canonical SMILES for (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine is CCCCOc1ccc(CN[C@H](C)C2CCCCC2)cc1.
What is the InChIKey of (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine?
The InChIKey is CDXBMMDIBFOJHQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-4-14-21-19-12-10-17(11-13-19)15-20-16(2)18-8-6-5-7-9-18/h10-13,16,18,20H,3-9,14-15H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine?
(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine is sourced from PubChem (CID 81391494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).