2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C14H22N2 — CID 106636659

IUPAC2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCN1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-12(13-6-3-2-4-7-13)10-15-11-14-8-5-9-16-14/h2-4,6-7,12,14-16H,5,8-11H2,1H3
InChIKeyUVTLDDMWTYUECZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.13
Rot. Bonds5

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

2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106636659) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106636659
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(CNCC1CCCN1)c1ccccc1
InChIInChI=1S/C14H22N2/c1-12(13-6-3-2-4-7-13)10-15-11-14-8-5-9-16-14/h2-4,6-7,12,14-16H,5,8-11H2,1H3
InChIKeyUVTLDDMWTYUECZ-UHFFFAOYSA-N
XLogP2.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 80686709
2-phenyl-N-(piperidin-2-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 106632941
3-methyl-1-(pyrrolidin-2-ylmethylamino)butan-2-ol
CID 106639404
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
cumene;pyrrolidin-2-ylmethanol
CID 142237933
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
2-methyl-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
CID 106638610
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106639319
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropan-1-amine
CID 103626279
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604434
1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79540027

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106636659) is 2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(CNCC1CCCN1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is UVTLDDMWTYUECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12(13-6-3-2-4-7-13)10-15-11-14-8-5-9-16-14/h2-4,6-7,12,14-16H,5,8-11H2,1H3.
What are the key properties of 2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106636659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).