N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine

C15H24N2 — CID 55070158

IUPACN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN1CCCC1
InChIInChI=1S/C15H24N2/c1-2-9-16-12-14-7-3-4-8-15(14)13-17-10-5-6-11-17/h3-4,7-8,16H,2,5-6,9-13H2,1H3
InChIKeyLTCCWICFMSHGDJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.78
Rot. Bonds6

About N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine

N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine (PubChem CID 55070158) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
PubChem CID55070158
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1CN1CCCC1
InChIInChI=1S/C15H24N2/c1-2-9-16-12-14-7-3-4-8-15(14)13-17-10-5-6-11-17/h3-4,7-8,16H,2,5-6,9-13H2,1H3
InChIKeyLTCCWICFMSHGDJ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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-[[2-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62427122
N-[[2-[(3-methoxypiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 102968090
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63620637
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55069752
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107555665
N-[[2-(2-methylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 43280373
2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 115463424
N-[[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55155178

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine (CID 55070158) is N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1CN1CCCC1.
What is the InChIKey of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
The InChIKey is LTCCWICFMSHGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-9-16-12-14-7-3-4-8-15(14)13-17-10-5-6-11-17/h3-4,7-8,16H,2,5-6,9-13H2,1H3.
What are the key properties of N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine?
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 55070158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).