N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine

C19H24N2O — CID 119905641

IUPACN-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H24N2O/c1-20-18-10-11-21(14-18)13-17-8-5-9-19(12-17)22-15-16-6-3-2-4-7-16/h2-9,12,18,20H,10-11,13-15H2,1H3
InChIKeyPLSYQYHOLKLQOB-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.06
Rot. Bonds6

About N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine

N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 119905641) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID119905641
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCNC1CCN(Cc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C19H24N2O/c1-20-18-10-11-21(14-18)13-17-8-5-9-19(12-17)22-15-16-6-3-2-4-7-16/h2-9,12,18,20H,10-11,13-15H2,1H3
InChIKeyPLSYQYHOLKLQOB-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-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-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
1-methyl-4-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 74248786
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
1-benzyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159389
N-methyl-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-3-amine
CID 66689031
(3R,4R)-1-benzyl-4-(3-phenylmethoxyphenyl)piperidin-3-ol
CID 131850383
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120913068
N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine
CID 129211083
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
N-tert-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076504

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine (CID 119905641) is N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine is CNC1CCN(Cc2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is PLSYQYHOLKLQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-20-18-10-11-21(14-18)13-17-8-5-9-19(12-17)22-15-16-6-3-2-4-7-16/h2-9,12,18,20H,10-11,13-15H2,1H3.
What are the key properties of N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine?
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 296.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 119905641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).