2-(3-benzhydrylpyrrolidin-1-yl)ethanamine

C19H24N2 — CID 131855350

IUPAC2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
SMILESNCCN1CCC(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H24N2/c20-12-14-21-13-11-18(15-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15,20H2
InChIKeyDDZXIVGTKJIOTL-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.10
Rot. Bonds5

About 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine

2-(3-benzhydrylpyrrolidin-1-yl)ethanamine (PubChem CID 131855350) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
PubChem CID131855350
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
SMILESNCCN1CCC(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C19H24N2/c20-12-14-21-13-11-18(15-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15,20H2
InChIKeyDDZXIVGTKJIOTL-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
4-[2-[3-[(4-chlorophenyl)-phenylmethyl]piperidin-1-yl]ethyl]morpholine;dihydrochloride
CID 70620318
2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine
CID 54215740
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494242
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
2-[3-(2-bromophenyl)pyrrolidin-1-yl]ethanamine
CID 82625462
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 103976377
1-(4-amino-4-phenylbutyl)-N,N-diethylpyrrolidin-3-amine
CID 63321943
2-phenyl-2-[(3S)-1-(3-phenylsulfanylpropyl)pyrrolidin-3-yl]acetamide
CID 59786782

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine (CID 131855350) is 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine is NCCN1CCC(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine?
The InChIKey is DDZXIVGTKJIOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c20-12-14-21-13-11-18(15-21)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19H,11-15,20H2.
What are the key properties of 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine?
2-(3-benzhydrylpyrrolidin-1-yl)ethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzhydrylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 131855350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).