(E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine

C24H25NO — CID 134870614

IUPAC(E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine
SMILESCC[C@@H](ON[C@@H](/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-2-24(22-16-10-5-11-17-22)26-25-23(21-14-8-4-9-15-21)19-18-20-12-6-3-7-13-20/h3-19,23-25H,2H2,1H3/b19-18+/t23-,24+/m0/s1
InChIKeyKKHRGAJUWIFQRG-JKVWFZFJSA-N
MW343.47 g/mol
LogP6.11
Rot. Bonds8

About (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine

(E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine (PubChem CID 134870614) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine.

Molecular Properties

Compound Name(E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine
PubChem CID134870614
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine
SMILESCC[C@@H](ON[C@@H](/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-2-24(22-16-10-5-11-17-22)26-25-23(21-14-8-4-9-15-21)19-18-20-12-6-3-7-13-20/h3-19,23-25H,2H2,1H3/b19-18+/t23-,24+/m0/s1
InChIKeyKKHRGAJUWIFQRG-JKVWFZFJSA-N
XLogP6.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

beta-Amino-alpha,alpha-diphenylbenzeneethanol
CID 108472
N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine
CID 6712809
BENZYL ALCOHOL, alpha-(alpha-AMINOBENZYL)-, HYDROCHLORIDE
CID 22242
1-Propanol, 3-amino-1,1,3-triphenyl-
CID 120810
3-Amino-1,3-diphenylpropan-1-ol
CID 283198
(S)-(-)-2-Amino-1,1,2-triphenylethanol
CID 1270113
(R)-2-Amino-1,1,2-triphenylethanol
CID 1270114
Benzeneethanamine, N-(phenylmethoxy)-
CID 14545021
2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
CID 15261432
3,3-Diphenyl-2-(1-phenylethyl)-1,2-oxaziridine
CID 336231
2-Amino-1,2-diphenylethan-1-ol--hydrogen chloride (1/1)
CID 234544
(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine
CID 10708581

Frequently Asked Questions

What is the IUPAC name of (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine?
The IUPAC name of (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine (CID 134870614) is (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine.
What is the SMILES notation for (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine?
The canonical SMILES for (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine is CC[C@@H](ON[C@@H](/C=C/c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine?
The InChIKey is KKHRGAJUWIFQRG-JKVWFZFJSA-N. The full InChI is InChI=1S/C24H25NO/c1-2-24(22-16-10-5-11-17-22)26-25-23(21-14-8-4-9-15-21)19-18-20-12-6-3-7-13-20/h3-19,23-25H,2H2,1H3/b19-18+/t23-,24+/m0/s1.
What are the key properties of (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine?
(E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine has a molecular weight of 343.47 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-1,3-diphenyl-N-[(1R)-1-phenylpropoxy]prop-2-en-1-amine is sourced from PubChem (CID 134870614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).