1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine

C13H19NO — CID 43298537

IUPAC1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
SMILESCOc1cccc(CNCC2CCC2)c1
InChIInChI=1S/C13H19NO/c1-15-13-7-3-6-12(8-13)10-14-9-11-4-2-5-11/h3,6-8,11,14H,2,4-5,9-10H2,1H3
InChIKeyVSDKKCGFCGOFPS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.58
Rot. Bonds5

About 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine

1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine (PubChem CID 43298537) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
PubChem CID43298537
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
SMILESCOc1cccc(CNCC2CCC2)c1
InChIInChI=1S/C13H19NO/c1-15-13-7-3-6-12(8-13)10-14-9-11-4-2-5-11/h3,6-8,11,14H,2,4-5,9-10H2,1H3
InChIKeyVSDKKCGFCGOFPS-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine 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-(3-chlorocyclopentyl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 106121121
3-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212230
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62558136
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone
CID 1459332
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(3-methoxyphenyl)methyl]methanamine
CID 62064582
1-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]methanamine
CID 24715482

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine (CID 43298537) is 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine is COc1cccc(CNCC2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine?
The InChIKey is VSDKKCGFCGOFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-15-13-7-3-6-12(8-13)10-14-9-11-4-2-5-11/h3,6-8,11,14H,2,4-5,9-10H2,1H3.
What are the key properties of 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine?
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 43298537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).