1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine

C15H23NO — CID 131141450

IUPAC1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine
SMILESCNC(CCOCc1ccccc1)C1CCC1
InChIInChI=1S/C15H23NO/c1-16-15(14-8-5-9-14)10-11-17-12-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3
InChIKeyMSUBAJLYKFYGAU-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.98
Rot. Bonds7

About 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine

1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine (PubChem CID 131141450) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine
PubChem CID131141450
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine
SMILESCNC(CCOCc1ccccc1)C1CCC1
InChIInChI=1S/C15H23NO/c1-16-15(14-8-5-9-14)10-11-17-12-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3
InChIKeyMSUBAJLYKFYGAU-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.98
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

1-cyclobutyl-N-phenylmethoxypropan-1-amine
CID 130679166
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928168
N'-cyclohexyl-N-methyl-N'-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 138657743
N-(4-phenylmethoxybutan-2-yl)azetidin-3-amine
CID 131045396
1-cyclopropyl-4-phenylmethoxybutan-1-amine
CID 130537024
1-cyclopentyl-2-phenylmethoxyethanamine;hydrochloride
CID 67701372
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
1-[[(1R)-1-cyclopentylethyl]amino]-3-phenylmethoxypropan-2-ol
CID 81394514
N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine?
The IUPAC name of 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine (CID 131141450) is 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine?
The canonical SMILES for 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine is CNC(CCOCc1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine?
The InChIKey is MSUBAJLYKFYGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16-15(14-8-5-9-14)10-11-17-12-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-12H2,1H3.
What are the key properties of 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine?
1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine is sourced from PubChem (CID 131141450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).