3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine

C17H27NO — CID 115898221

IUPAC3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
SMILESCCCCOCCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C17H27NO/c1-2-3-13-19-14-7-12-18-17(16-10-11-16)15-8-5-4-6-9-15/h4-6,8-9,16-18H,2-3,7,10-14H2,1H3
InChIKeyXYTBPXLIGXLEAT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.93
Rot. Bonds10

About 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine

3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine (PubChem CID 115898221) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
PubChem CID115898221
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
SMILESCCCCOCCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C17H27NO/c1-2-3-13-19-14-7-12-18-17(16-10-11-16)15-8-5-4-6-9-15/h4-6,8-9,16-18H,2-3,7,10-14H2,1H3
InChIKeyXYTBPXLIGXLEAT-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.93
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-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
CID 61311612
N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 61312376
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
N-[cyclopropyl(phenyl)methyl]-2-ethylhexan-1-amine
CID 63420427
N-[cyclohexyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 43099675
N-[(3-ethylcyclopentyl)-phenylmethyl]propan-1-amine
CID 65412412
N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
N-[cyclopropyl-(4-ethoxyphenyl)methyl]propan-1-amine
CID 43495185
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine (CID 115898221) is 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine is CCCCOCCCNC(c1ccccc1)C1CC1.
What is the InChIKey of 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine?
The InChIKey is XYTBPXLIGXLEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-13-19-14-7-12-18-17(16-10-11-16)15-8-5-4-6-9-15/h4-6,8-9,16-18H,2-3,7,10-14H2,1H3.
What are the key properties of 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine?
3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine is sourced from PubChem (CID 115898221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).