N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine

C22H30N2 — CID 97341089

IUPACN-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
SMILESC[C@@H](NCCCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H30N2/c1-19(23-15-8-13-20-9-4-2-5-10-20)22-14-16-24(18-22)17-21-11-6-3-7-12-21/h2-7,9-12,19,22-23H,8,13-18H2,1H3/t19-,22-/m1/s1
InChIKeyPHMREHRVUUJDDC-DENIHFKCSA-N
MW322.50 g/mol
LogP4.12
Rot. Bonds8

About N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine

N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine (PubChem CID 97341089) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
PubChem CID97341089
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC NameN-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine
SMILESC[C@@H](NCCCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1
InChIInChI=1S/C22H30N2/c1-19(23-15-8-13-20-9-4-2-5-10-20)22-14-16-24(18-22)17-21-11-6-3-7-12-21/h2-7,9-12,19,22-23H,8,13-18H2,1H3/t19-,22-/m1/s1
InChIKeyPHMREHRVUUJDDC-DENIHFKCSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.12
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

1-(1-benzylpyrrolidin-3-yl)ethylthiourea
CID 131219663
1-(1-benzylpiperidin-4-yl)-N-ethylethanamine
CID 63854656
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(1S)-1-(1-benzylpyrrolidin-3-yl)propan-1-amine
CID 10443395
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
N-[[(1S)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]sulfamoyl]propan-2-amine
CID 125137183
1-(1-benzylpyrrolidin-3-yl)-2-methylpropan-1-amine
CID 82390240
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
methyl 1-[[[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]amino]methyl]cyclohexane-1-carboxylate
CID 100662564
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-1,3-dithiolane-2-carboxamide
CID 125137166
1-(1-benzylpyrrolidin-3-yl)-N-ethylpropan-2-amine
CID 83980661
N-ethyl-1-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]ethanamine
CID 63853942

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine (CID 97341089) is N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine is C[C@@H](NCCCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine?
The InChIKey is PHMREHRVUUJDDC-DENIHFKCSA-N. The full InChI is InChI=1S/C22H30N2/c1-19(23-15-8-13-20-9-4-2-5-10-20)22-14-16-24(18-22)17-21-11-6-3-7-12-21/h2-7,9-12,19,22-23H,8,13-18H2,1H3/t19-,22-/m1/s1.
What are the key properties of N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine?
N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine has a molecular weight of 322.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 97341089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).