(2S)-N-ethyl-4,4-diphenylbutan-2-amine

C18H23N — CID 92981582

IUPAC(2S)-N-ethyl-4,4-diphenylbutan-2-amine
SMILESCCN[C@@H](C)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N/c1-3-19-15(2)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-19H,3,14H2,1-2H3/t15-/m0/s1
InChIKeyLHZORLASXUOCLW-HNNXBMFYSA-N
MW253.39 g/mol
LogP4.21
Rot. Bonds6

About (2S)-N-ethyl-4,4-diphenylbutan-2-amine

(2S)-N-ethyl-4,4-diphenylbutan-2-amine (PubChem CID 92981582) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-N-ethyl-4,4-diphenylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N-ethyl-4,4-diphenylbutan-2-amine
PubChem CID92981582
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name(2S)-N-ethyl-4,4-diphenylbutan-2-amine
SMILESCCN[C@@H](C)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N/c1-3-19-15(2)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-19H,3,14H2,1-2H3/t15-/m0/s1
InChIKeyLHZORLASXUOCLW-HNNXBMFYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride
CID 117066854
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
N-benzhydrylethanamine;ethane
CID 142974710
N-[(2R)-2-(ethylamino)propyl]-3,3-diphenylpropanamide;hydrochloride
CID 120652570
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
N-ethyl-3-methyl-1,1-diphenylbutan-2-amine
CID 60817823
1-(ethylamino)-1-phenylbutan-2-one
CID 123921729
1-phenylethyl 3-(ethylamino)butanoate
CID 62828023
4-(ethylamino)pentan-2-yl benzoate
CID 90020670
N-ethyl-2-ethylsulfanyl-1-phenylpropan-1-amine
CID 64612976
1-(ethylamino)-4,4-diphenylbutan-2-ol
CID 21411045
N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 67841656

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-4,4-diphenylbutan-2-amine?
The IUPAC name of (2S)-N-ethyl-4,4-diphenylbutan-2-amine (CID 92981582) is (2S)-N-ethyl-4,4-diphenylbutan-2-amine.
What is the SMILES notation for (2S)-N-ethyl-4,4-diphenylbutan-2-amine?
The canonical SMILES for (2S)-N-ethyl-4,4-diphenylbutan-2-amine is CCN[C@@H](C)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-ethyl-4,4-diphenylbutan-2-amine?
The InChIKey is LHZORLASXUOCLW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N/c1-3-19-15(2)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-19H,3,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-ethyl-4,4-diphenylbutan-2-amine?
(2S)-N-ethyl-4,4-diphenylbutan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-4,4-diphenylbutan-2-amine is sourced from PubChem (CID 92981582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).