3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine

C19H29NO — CID 79970546

IUPAC3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
SMILESc1cc(CNCCCOC2CCCCC2)cc(C2CC2)c1
InChIInChI=1S/C19H29NO/c1-2-8-19(9-3-1)21-13-5-12-20-15-16-6-4-7-18(14-16)17-10-11-17/h4,6-7,14,17,19-20H,1-3,5,8-13,15H2
InChIKeyDHKNBJPQPJWXFP-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.39
Rot. Bonds8

About 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine

3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine (PubChem CID 79970546) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
PubChem CID79970546
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine
SMILESc1cc(CNCCCOC2CCCCC2)cc(C2CC2)c1
InChIInChI=1S/C19H29NO/c1-2-8-19(9-3-1)21-13-5-12-20-15-16-6-4-7-18(14-16)17-10-11-17/h4,6-7,14,17,19-20H,1-3,5,8-13,15H2
InChIKeyDHKNBJPQPJWXFP-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.39
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

N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
1-(cyclopentyloxymethyl)-3-cyclopropylbenzene
CID 126674869
3-cyclohexyloxy-N-[(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 63645848
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
2-cyclopentyloxy-N-[(3-methylphenyl)methyl]ethanamine
CID 55219712
3-cyclohexyloxy-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233320
N-[(3-cyclopropylphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79979264
3-cyclohexyloxy-N-(thiophen-3-ylmethyl)propan-1-amine
CID 28720110
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79983771
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79983696

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine (CID 79970546) is 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine is c1cc(CNCCCOC2CCCCC2)cc(C2CC2)c1.
What is the InChIKey of 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine?
The InChIKey is DHKNBJPQPJWXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-8-19(9-3-1)21-13-5-12-20-15-16-6-4-7-18(14-16)17-10-11-17/h4,6-7,14,17,19-20H,1-3,5,8-13,15H2.
What are the key properties of 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine?
3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[(3-cyclopropylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 79970546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).