(2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine

C18H23N — CID 13011906

IUPAC(2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine
SMILESC[C@@H](Cc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m0/s1
InChIKeyCYWPIEBWQAZHQX-INIZCTEOSA-N
MW253.39 g/mol
LogP3.84
Rot. Bonds7

About (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine

(2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine (PubChem CID 13011906) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine
PubChem CID13011906
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name(2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine
SMILESC[C@@H](Cc1ccccc1)NCCCc1ccccc1
InChIInChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m0/s1
InChIKeyCYWPIEBWQAZHQX-INIZCTEOSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine?
The IUPAC name of (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine (CID 13011906) is (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine?
The canonical SMILES for (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine is C[C@@H](Cc1ccccc1)NCCCc1ccccc1.
What is the InChIKey of (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine?
The InChIKey is CYWPIEBWQAZHQX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine?
(2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-N-(3-phenylpropyl)propan-2-amine is sourced from PubChem (CID 13011906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).