1-cyclobutyl-N-phenylmethoxypropan-1-amine

C14H21NO — CID 130679166

IUPAC1-cyclobutyl-N-phenylmethoxypropan-1-amine
SMILESCCC(NOCc1ccccc1)C1CCC1
InChIInChI=1S/C14H21NO/c1-2-14(13-9-6-10-13)15-16-11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyFBCXXQVBGKFNDM-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.29
Rot. Bonds6

About 1-cyclobutyl-N-phenylmethoxypropan-1-amine

1-cyclobutyl-N-phenylmethoxypropan-1-amine (PubChem CID 130679166) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-cyclobutyl-N-phenylmethoxypropan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-phenylmethoxypropan-1-amine
PubChem CID130679166
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-cyclobutyl-N-phenylmethoxypropan-1-amine
SMILESCCC(NOCc1ccccc1)C1CCC1
InChIInChI=1S/C14H21NO/c1-2-14(13-9-6-10-13)15-16-11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3
InChIKeyFBCXXQVBGKFNDM-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclobutyl-N-phenylmethoxypropan-1-amine 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

1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 131141450
(2S)-1-phenyl-N-phenylmethoxybutan-2-amine
CID 124575121
(2-cyclobutyl-3-methylpentyl)benzene
CID 54503579
3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
N-phenylmethoxyphosphanylpropan-2-amine
CID 143461727
N-(1-cyclobutylethyl)-1-phenylbutan-2-amine
CID 115716509
1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
CID 82710017
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
cis-(1S,2R)-1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine;dihydrochloride
CID 131665573
1-(furan-2-yl)-N-phenylmethoxypropan-1-amine
CID 82709043

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-phenylmethoxypropan-1-amine?
The IUPAC name of 1-cyclobutyl-N-phenylmethoxypropan-1-amine (CID 130679166) is 1-cyclobutyl-N-phenylmethoxypropan-1-amine.
What is the SMILES notation for 1-cyclobutyl-N-phenylmethoxypropan-1-amine?
The canonical SMILES for 1-cyclobutyl-N-phenylmethoxypropan-1-amine is CCC(NOCc1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-phenylmethoxypropan-1-amine?
The InChIKey is FBCXXQVBGKFNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-14(13-9-6-10-13)15-16-11-12-7-4-3-5-8-12/h3-5,7-8,13-15H,2,6,9-11H2,1H3.
What are the key properties of 1-cyclobutyl-N-phenylmethoxypropan-1-amine?
1-cyclobutyl-N-phenylmethoxypropan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-phenylmethoxypropan-1-amine is sourced from PubChem (CID 130679166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).