N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride

C18H24ClN — CID 117066854

IUPACN-ethyl-4,4-diphenylbutan-2-amine;hydrochloride
SMILESCCNC(C)CC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H23N.ClH/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;1H
InChIKeyRAWUDURWJKZTBK-UHFFFAOYSA-N
MW289.85 g/mol
LogP4.63
Rot. Bonds6

About N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride

N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride (PubChem CID 117066854) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4,4-diphenylbutan-2-amine;hydrochloride
PubChem CID117066854
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC NameN-ethyl-4,4-diphenylbutan-2-amine;hydrochloride
SMILESCCNC(C)CC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C18H23N.ClH/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;1H
InChIKeyRAWUDURWJKZTBK-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-ethyl-4,4-diphenylbutan-2-amine
CID 92981582
N-[(2R)-2-(ethylamino)propyl]-3,3-diphenylpropanamide;hydrochloride
CID 120652570
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
N-benzhydrylethanamine;ethane
CID 142974710
N-benzyl-4,4-bis(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 67841656
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
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
1-(ethylamino)-4,4-diphenylbutan-2-ol
CID 21411045

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride?
The IUPAC name of N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride (CID 117066854) is N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride.
What is the SMILES notation for N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride?
The canonical SMILES for N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride is CCNC(C)CC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride?
The InChIKey is RAWUDURWJKZTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.ClH/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;1H.
What are the key properties of N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride?
N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride is sourced from PubChem (CID 117066854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).