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

C15H24N2 — CID 60856584

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
SMILESCN1CCC(CNCCCc2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-17-11-9-15(13-17)12-16-10-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyAHMVDEJIBYWILX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.16
Rot. Bonds6

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

N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine (PubChem CID 60856584) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
PubChem CID60856584
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
SMILESCN1CCC(CNCCCc2ccccc2)C1
InChIInChI=1S/C15H24N2/c1-17-11-9-15(13-17)12-16-10-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3
InChIKeyAHMVDEJIBYWILX-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.16
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-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
2-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199289
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573
1-(1-methylpiperidin-4-yl)-3-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-1-(2-phenylethyl)urea
CID 126444584
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine
CID 62655954
N-[(1-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 60854888
N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine
CID 114104999
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine (CID 60856584) is N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine is CN1CCC(CNCCCc2ccccc2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine?
The InChIKey is AHMVDEJIBYWILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17-11-9-15(13-17)12-16-10-5-8-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine?
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 60856584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).