2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine

C17H28N2 — CID 115208978

IUPAC2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCC(C)Cc1ccc(CCNCC2CCNC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)11-16-5-3-15(4-6-16)7-9-18-12-17-8-10-19-13-17/h3-6,14,17-19H,7-13H2,1-2H3
InChIKeyLDENPEQJKDGUTE-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.63
Rot. Bonds7

About 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine

2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine (PubChem CID 115208978) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
PubChem CID115208978
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine
SMILESCC(C)Cc1ccc(CCNCC2CCNC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)11-16-5-3-15(4-6-16)7-9-18-12-17-8-10-19-13-17/h3-6,14,17-19H,7-13H2,1-2H3
InChIKeyLDENPEQJKDGUTE-UHFFFAOYSA-N
XLogP2.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209022
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208972
2-(3-chloro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208973
5-methyl-N-(pyrrolidin-3-ylmethyl)hexan-1-amine
CID 115325962
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
N-(pyrrolidin-3-ylmethyl)propan-1-amine
CID 13491799
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
1-[2-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-one
CID 115234971

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine (CID 115208978) is 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine is CC(C)Cc1ccc(CCNCC2CCNC2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine?
The InChIKey is LDENPEQJKDGUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)11-16-5-3-15(4-6-16)7-9-18-12-17-8-10-19-13-17/h3-6,14,17-19H,7-13H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine?
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine has a molecular weight of 260.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 115208978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).