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

C17H28N2 — CID 115463424

IUPAC2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ccccc1CN1CCCC1
InChIInChI=1S/C17H28N2/c1-15(2)13-18-10-9-16-7-3-4-8-17(16)14-19-11-5-6-12-19/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3
InChIKeyMDZASHKGCYDNPZ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.07
Rot. Bonds7

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

2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine (PubChem CID 115463424) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine
PubChem CID115463424
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine
SMILESCC(C)CNCCc1ccccc1CN1CCCC1
InChIInChI=1S/C17H28N2/c1-15(2)13-18-10-9-16-7-3-4-8-17(16)14-19-11-5-6-12-19/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3
InChIKeyMDZASHKGCYDNPZ-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.07
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

2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine
CID 115463705
N-ethyl-2-[2-(1,4-oxazepan-4-ylmethyl)phenyl]ethanamine
CID 115464034
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-N-ethylethanamine
CID 115463396
N-[[4-(azocan-1-ylmethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 80719506
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
2-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785608
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine (CID 115463424) is 2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine is CC(C)CNCCc1ccccc1CN1CCCC1.
What is the InChIKey of 2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is MDZASHKGCYDNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-15(2)13-18-10-9-16-7-3-4-8-17(16)14-19-11-5-6-12-19/h3-4,7-8,15,18H,5-6,9-14H2,1-2H3.
What are the key properties of 2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine?
2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 115463424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).