3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine

C18H29NO2 — CID 43233320

IUPAC3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCCOC2CCCCC2)cc1C
InChIInChI=1S/C18H29NO2/c1-15-13-16(9-10-18(15)20-2)14-19-11-6-12-21-17-7-4-3-5-8-17/h9-10,13,17,19H,3-8,11-12,14H2,1-2H3
InChIKeySZCYVBSHIIGLMQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds8

About 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine

3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine (PubChem CID 43233320) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
PubChem CID43233320
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
SMILESCOc1ccc(CNCCCOC2CCCCC2)cc1C
InChIInChI=1S/C18H29NO2/c1-15-13-16(9-10-18(15)20-2)14-19-11-6-12-21-17-7-4-3-5-8-17/h9-10,13,17,19H,3-8,11-12,14H2,1-2H3
InChIKeySZCYVBSHIIGLMQ-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848
3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233318
N-[(4-methoxy-3-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43233324
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
CID 79970546
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
1-(3-cyclohexyloxypropyl)-3-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 111787033
N-[(4-methoxy-3-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615017
N-[(4-methoxy-3-methylphenyl)methyl]-3,3-dimethylbutan-1-amine
CID 115581213
1-(4-ethylcyclohexyl)-N-[(4-methoxy-3-methylphenyl)methyl]methanamine
CID 63451553
2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
CID 55219712
methyl 5-[[[N-(3-cyclohexyloxypropyl)-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 111397081

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine (CID 43233320) is 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine is COc1ccc(CNCCCOC2CCCCC2)cc1C.
What is the InChIKey of 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
The InChIKey is SZCYVBSHIIGLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15-13-16(9-10-18(15)20-2)14-19-11-6-12-21-17-7-4-3-5-8-17/h9-10,13,17,19H,3-8,11-12,14H2,1-2H3.
What are the key properties of 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43233320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).