N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine

C16H26N2 — CID 115210731

IUPACN-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine
SMILESCCCc1ccc(CNCCC2CCNC2)cc1
InChIInChI=1S/C16H26N2/c1-2-3-14-4-6-15(7-5-14)12-17-10-8-16-9-11-18-13-16/h4-7,16-18H,2-3,8-13H2,1H3
InChIKeyYLCHFBNSYKMJNE-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.73
Rot. Bonds7

About N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine

N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine (PubChem CID 115210731) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound NameN-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine
PubChem CID115210731
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine
SMILESCCCc1ccc(CNCCC2CCNC2)cc1
InChIInChI=1S/C16H26N2/c1-2-3-14-4-6-15(7-5-14)12-17-10-8-16-9-11-18-13-16/h4-7,16-18H,2-3,8-13H2,1H3
InChIKeyYLCHFBNSYKMJNE-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.73
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-piperidin-3-yl-N-[(4-propylphenyl)methyl]ethanamine
CID 115211361
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210749
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210742
N-(2-piperidin-3-ylethyl)-4-propylaniline
CID 115211247
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160309
3-[2-(4-ethylsulfonylphenyl)ethyl]pyrrolidine
CID 116925480
N-ethyl-2-[(3S)-piperidin-3-yl]ethanamine
CID 94540790
N-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidin-3-ylethanamine
CID 115211362
N-benzyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 10726362
N-[(4-propylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208236
N-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210777

Frequently Asked Questions

What is the IUPAC name of N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine?
The IUPAC name of N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine (CID 115210731) is N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine is CCCc1ccc(CNCCC2CCNC2)cc1.
What is the InChIKey of N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine?
The InChIKey is YLCHFBNSYKMJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-3-14-4-6-15(7-5-14)12-17-10-8-16-9-11-18-13-16/h4-7,16-18H,2-3,8-13H2,1H3.
What are the key properties of N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine?
N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylphenyl)methyl]-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 115210731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).