N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine

C15H24N2 — CID 61221225

IUPACN-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCCc1ccccc1
InChIInChI=1S/C15H24N2/c1-14(13-17-11-5-6-12-17)16-10-9-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeySMXKVBLVJHNFQA-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.30
Rot. Bonds6

About N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine

N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61221225) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61221225
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCCc1ccccc1
InChIInChI=1S/C15H24N2/c1-14(13-17-11-5-6-12-17)16-10-9-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3
InChIKeySMXKVBLVJHNFQA-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 113408558
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
2-methyl-N-(3-phenylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 55025768
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
1-chloro-N-(2-phenylethyl)propan-2-amine
CID 65025735
2-methyl-1-(2-methyl-3-piperidin-1-ylpropyl)-3-(2-phenylethyl)guanidine
CID 111134003
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
1-cyclobutyl-N-(2-phenylethyl)propan-2-amine
CID 115705957
4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 125445404
2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 62374500
1-N,1-N'-bis(2-phenylethyl)ethane-1,1-diamine
CID 141155075

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 61221225) is N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is SMXKVBLVJHNFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(13-17-11-5-6-12-17)16-10-9-15-7-3-2-4-8-15/h2-4,7-8,14,16H,5-6,9-13H2,1H3.
What are the key properties of N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine?
N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 232.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61221225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).