N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine

C23H23N — CID 123802706

IUPACN-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
SMILESC[C@@H](NCC=Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H23N/c1-19(21-10-4-2-5-11-21)24-18-8-9-20-14-16-23(17-15-20)22-12-6-3-7-13-22/h2-17,19,24H,18H2,1H3/t19-/m1/s1
InChIKeyHRQDZXKJNKSDJE-LJQANCHMSA-N
MW313.44 g/mol
LogP5.72
Rot. Bonds6

About N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine

N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine (PubChem CID 123802706) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
PubChem CID123802706
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC NameN-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
SMILESC[C@@H](NCC=Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H23N/c1-19(21-10-4-2-5-11-21)24-18-8-9-20-14-16-23(17-15-20)22-12-6-3-7-13-22/h2-17,19,24H,18H2,1H3/t19-/m1/s1
InChIKeyHRQDZXKJNKSDJE-LJQANCHMSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
(Z)-4-methyl-N-[(1S)-1-phenylethyl]pent-2-en-1-amine
CID 102078322
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
N-[4-[1-[[(E)-3-phenylprop-2-enyl]amino]ethyl]phenyl]methanesulfonamide
CID 56823426
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
CID 124647336
N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine
CID 144791715
(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408581
2-[[(1S)-1-phenylethyl]amino]acetaldehyde
CID 173253392
N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine
CID 104582439
2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine
CID 64570250

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine (CID 123802706) is N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine is C[C@@H](NCC=Cc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine?
The InChIKey is HRQDZXKJNKSDJE-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23N/c1-19(21-10-4-2-5-11-21)24-18-8-9-20-14-16-23(17-15-20)22-12-6-3-7-13-22/h2-17,19,24H,18H2,1H3/t19-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine?
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine has a molecular weight of 313.44 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 123802706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).