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

C17H22N2O — CID 78943425

IUPACN-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCOc1ccc(CNC2CCN(C)C2)c2ccccc12
InChIInChI=1S/C17H22N2O/c1-19-10-9-14(12-19)18-11-13-7-8-17(20-2)16-6-4-3-5-15(13)16/h3-8,14,18H,9-12H2,1-2H3
InChIKeyVBGYZGUZYHFKSE-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.64
Rot. Bonds4

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

N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 78943425) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
PubChem CID78943425
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine
SMILESCOc1ccc(CNC2CCN(C)C2)c2ccccc12
InChIInChI=1S/C17H22N2O/c1-19-10-9-14(12-19)18-11-13-7-8-17(20-2)16-6-4-3-5-15(13)16/h3-8,14,18H,9-12H2,1-2H3
InChIKeyVBGYZGUZYHFKSE-UHFFFAOYSA-N
XLogP2.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone
CID 56808713
N-[(4-methoxynaphthalen-1-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671454
1-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 56808728
N-[(4-methoxynaphthalen-1-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127439
4-[(4-methoxynaphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509661
N-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 64988249
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine
CID 62975581
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
(2R)-1-[4-[[(4-methoxynaphthalen-1-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95335411

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine (CID 78943425) is N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine is COc1ccc(CNC2CCN(C)C2)c2ccccc12.
What is the InChIKey of N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is VBGYZGUZYHFKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19-10-9-14(12-19)18-11-13-7-8-17(20-2)16-6-4-3-5-15(13)16/h3-8,14,18H,9-12H2,1-2H3.
What are the key properties of N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine?
N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxynaphthalen-1-yl)methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 78943425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).