1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine

C19H24N2 — CID 69396250

IUPAC1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine
SMILESCCc1ccc(CN2CCC(N)C2c2ccccc2)cc1
InChIInChI=1S/C19H24N2/c1-2-15-8-10-16(11-9-15)14-21-13-12-18(20)19(21)17-6-4-3-5-7-17/h3-11,18-19H,2,12-14,20H2,1H3
InChIKeyMWNSWCDRTYLMBW-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.52
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine

1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine (PubChem CID 69396250) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine
PubChem CID69396250
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine
SMILESCCc1ccc(CN2CCC(N)C2c2ccccc2)cc1
InChIInChI=1S/C19H24N2/c1-2-15-8-10-16(11-9-15)14-21-13-12-18(20)19(21)17-6-4-3-5-7-17/h3-11,18-19H,2,12-14,20H2,1H3
InChIKeyMWNSWCDRTYLMBW-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-amino-1-benzylpyrrolidin-2-yl)phenol
CID 82379506
ethyl 2-[(2S,3S,4S)-1-benzyl-3-formyl-2-phenylpiperidin-4-yl]acetate
CID 132532994
(3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine
CID 3079309
(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
CID 178199859
(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
CID 162367950
(2S,3R)-2-(2-fluorophenyl)-1-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 92595912
2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 174891320
1-benzyl-4-(4-ethylphenyl)piperidin-2-one
CID 139936117
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
[1-benzyl-2-(4-methoxyphenyl)piperidin-3-yl]methanol
CID 168870314
(3S,4R)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770237
2-(1-benzyl-2-methylpyrrolidin-3-yl)ethanamine
CID 83849332

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine (CID 69396250) is 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine is CCc1ccc(CN2CCC(N)C2c2ccccc2)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine?
The InChIKey is MWNSWCDRTYLMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-15-8-10-16(11-9-15)14-21-13-12-18(20)19(21)17-6-4-3-5-7-17/h3-11,18-19H,2,12-14,20H2,1H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine?
1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-2-phenylpyrrolidin-3-amine is sourced from PubChem (CID 69396250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).