N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine

C23H26N2 — CID 56809382

IUPACN-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESc1ccc(CN2CCCC2)c(CNCc2cccc3ccccc23)c1
InChIInChI=1S/C23H26N2/c1-2-10-22(18-25-14-5-6-15-25)20(9-1)16-24-17-21-12-7-11-19-8-3-4-13-23(19)21/h1-4,7-13,24H,5-6,14-18H2
InChIKeyXFBSOXUYMOOPOA-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.73
Rot. Bonds6

About N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine

N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine (PubChem CID 56809382) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
PubChem CID56809382
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC NameN-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESc1ccc(CN2CCCC2)c(CNCc2cccc3ccccc23)c1
InChIInChI=1S/C23H26N2/c1-2-10-22(18-25-14-5-6-15-25)20(9-1)16-24-17-21-12-7-11-19-8-3-4-13-23(19)21/h1-4,7-13,24H,5-6,14-18H2
InChIKeyXFBSOXUYMOOPOA-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]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

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-1-carboxamide
CID 31644651
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
N-methyl-1-(naphthalen-1-ylmethyl)piperidin-3-amine
CID 62536724
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetonitrile
CID 34902193
4-[[[2-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031346
3-chloro-1-(naphthalen-1-ylmethyl)piperidine
CID 55182607
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine (CID 56809382) is N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine is c1ccc(CN2CCCC2)c(CNCc2cccc3ccccc23)c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is XFBSOXUYMOOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2/c1-2-10-22(18-25-14-5-6-15-25)20(9-1)16-24-17-21-12-7-11-19-8-3-4-13-23(19)21/h1-4,7-13,24H,5-6,14-18H2.
What are the key properties of N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 330.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 56809382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).