(2-butoxy-4-phenylcyclohexyl)methanamine

C17H27NO — CID 43294246

IUPAC(2-butoxy-4-phenylcyclohexyl)methanamine
SMILESCCCCOC1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C17H27NO/c1-2-3-11-19-17-12-15(9-10-16(17)13-18)14-7-5-4-6-8-14/h4-8,15-17H,2-3,9-13,18H2,1H3
InChIKeyUCWSWOLHNMSLNI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.71
Rot. Bonds6

About (2-butoxy-4-phenylcyclohexyl)methanamine

(2-butoxy-4-phenylcyclohexyl)methanamine (PubChem CID 43294246) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2-butoxy-4-phenylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-butoxy-4-phenylcyclohexyl)methanamine
PubChem CID43294246
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2-butoxy-4-phenylcyclohexyl)methanamine
SMILESCCCCOC1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C17H27NO/c1-2-3-11-19-17-12-15(9-10-16(17)13-18)14-7-5-4-6-8-14/h4-8,15-17H,2-3,9-13,18H2,1H3
InChIKeyUCWSWOLHNMSLNI-UHFFFAOYSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-butoxy-4-phenylcyclohexyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine
CID 43428907
[(2S)-2-butoxycyclopropyl]benzene
CID 90226086
[(1R,2R)-2-butoxycyclopropyl]benzene
CID 13263839
[(1R,2S)-2-butoxycyclopropyl]benzene
CID 13263840
2-hexoxy-4-phenylcyclohexane-1-carbonitrile
CID 43292764
2-(aminomethyl)-N-butyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293547
[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43294253
4-phenyl-2-(2-propoxyethoxy)cyclohexan-1-ol
CID 63684572
(2-pentoxy-4-propylcyclohexyl)methanamine
CID 43294257
2-(aminomethyl)-N-methyl-N-(2-methylpropyl)-5-phenylcyclohexan-1-amine
CID 43293727
2-(aminomethyl)-N-cyclopropyl-N-ethyl-5-phenylcyclohexan-1-amine
CID 43293647
2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol
CID 61424825

Frequently Asked Questions

What is the IUPAC name of (2-butoxy-4-phenylcyclohexyl)methanamine?
The IUPAC name of (2-butoxy-4-phenylcyclohexyl)methanamine (CID 43294246) is (2-butoxy-4-phenylcyclohexyl)methanamine.
What is the SMILES notation for (2-butoxy-4-phenylcyclohexyl)methanamine?
The canonical SMILES for (2-butoxy-4-phenylcyclohexyl)methanamine is CCCCOC1CC(c2ccccc2)CCC1CN.
What is the InChIKey of (2-butoxy-4-phenylcyclohexyl)methanamine?
The InChIKey is UCWSWOLHNMSLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-11-19-17-12-15(9-10-16(17)13-18)14-7-5-4-6-8-14/h4-8,15-17H,2-3,9-13,18H2,1H3.
What are the key properties of (2-butoxy-4-phenylcyclohexyl)methanamine?
(2-butoxy-4-phenylcyclohexyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butoxy-4-phenylcyclohexyl)methanamine is sourced from PubChem (CID 43294246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).