N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine

C16H25NO — CID 66430141

IUPACN-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(OC)cc2)CCC1C
InChIInChI=1S/C16H25NO/c1-4-11-17-12-16(10-9-13(16)2)14-5-7-15(18-3)8-6-14/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyHGQDUSVYSKUXAS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine

N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine (PubChem CID 66430141) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
PubChem CID66430141
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccc(OC)cc2)CCC1C
InChIInChI=1S/C16H25NO/c1-4-11-17-12-16(10-9-13(16)2)14-5-7-15(18-3)8-6-14/h5-8,13,17H,4,9-12H2,1-3H3
InChIKeyHGQDUSVYSKUXAS-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.36
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-[[1-(4-tert-butylphenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66424938
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine
CID 66424740
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66424340
N-[[1-(2-chloro-6-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66429947
N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66425933
N-[[1-(2-chloro-4-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66425142
N-[[1-(5-chloro-2-methoxyphenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679265
N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]cyclopropanamine
CID 66424540
N-methyl-1-(2-methyl-1-phenylcyclobutyl)methanamine
CID 66431976
N-[[1-(2-fluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79679545
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine (CID 66430141) is N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine is CCCNCC1(c2ccc(OC)cc2)CCC1C.
What is the InChIKey of N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
The InChIKey is HGQDUSVYSKUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-11-17-12-16(10-9-13(16)2)14-5-7-15(18-3)8-6-14/h5-8,13,17H,4,9-12H2,1-3H3.
What are the key properties of N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine?
N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)-2-methylcyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 66430141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).