N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine

C17H21NO — CID 115671454

IUPACN-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCOc1ccc(CNC2CC(C)C2)c2ccccc12
InChIInChI=1S/C17H21NO/c1-12-9-14(10-12)18-11-13-7-8-17(19-2)16-6-4-3-5-15(13)16/h3-8,12,14,18H,9-11H2,1-2H3
InChIKeyBPCDOFWHGISSGY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.74
Rot. Bonds4

About N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine

N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115671454) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115671454
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
SMILESCOc1ccc(CNC2CC(C)C2)c2ccccc12
InChIInChI=1S/C17H21NO/c1-12-9-14(10-12)18-11-13-7-8-17(19-2)16-6-4-3-5-15(13)16/h3-8,12,14,18H,9-11H2,1-2H3
InChIKeyBPCDOFWHGISSGY-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
CID 78943425
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509661
3-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]cyclobutan-1-amine
CID 104588014
cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone
CID 56808713
1-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 56808728
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
(2S)-1-methoxy-N-[(4-methoxynaphthalen-1-yl)methyl]propan-2-amine
CID 792105
N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 54848643
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
(2S,4S)-1-[(2-chlorophenyl)methyl]-N-ethyl-4-[(4-methoxynaphthalen-1-yl)methylamino]pyrrolidine-2-carboxamide
CID 118757919
N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115711072

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine (CID 115671454) is N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine is COc1ccc(CNC2CC(C)C2)c2ccccc12.
What is the InChIKey of N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is BPCDOFWHGISSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-9-14(10-12)18-11-13-7-8-17(19-2)16-6-4-3-5-15(13)16/h3-8,12,14,18H,9-11H2,1-2H3.
What are the key properties of N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine?
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115671454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).