2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol

C19H25NO — CID 61046363

IUPAC2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol
SMILESCCc1ccc(C(CC)(CO)NCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-16-10-12-18(13-11-16)19(4-2,15-21)20-14-17-8-6-5-7-9-17/h5-13,20-21H,3-4,14-15H2,1-2H3
InChIKeyAYNWCKFFXVQAAV-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.64
Rot. Bonds7

About 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol

2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol (PubChem CID 61046363) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol
PubChem CID61046363
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol
SMILESCCc1ccc(C(CC)(CO)NCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-3-16-10-12-18(13-11-16)19(4-2,15-21)20-14-17-8-6-5-7-9-17/h5-13,20-21H,3-4,14-15H2,1-2H3
InChIKeyAYNWCKFFXVQAAV-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
CID 61046914
2-(benzylamino)-2-(4-chlorophenyl)butan-1-ol
CID 61045994
2-(benzylamino)-2-(4-ethylphenyl)propan-1-ol
CID 61045809
1,3-bis[3-(4-ethylphenyl)pentan-3-yl]urea
CID 15589244
2-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]butan-1-ol
CID 75426168
2-(cyclopropylmethylamino)-2-phenylbutan-1-ol
CID 61054828
(2R)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2-phenylbutan-1-ol
CID 96936562
2-(benzylamino)-2-(4-methylphenyl)propan-1-ol
CID 61045814
N-[(4-ethylphenyl)methyl]-2-methylbutan-2-amine
CID 17206654
ethylcyclodecapentaene
CID 90861705
N,N'-bis[(4-ethylphenyl)methyl]-1,2-diphenylethane-1,2-diamine
CID 139633407
2-(benzylamino)-3-fluoro-2-(fluoromethyl)propan-1-ol
CID 11769859

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol?
The IUPAC name of 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol (CID 61046363) is 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol is CCc1ccc(C(CC)(CO)NCc2ccccc2)cc1.
What is the InChIKey of 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol?
The InChIKey is AYNWCKFFXVQAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-16-10-12-18(13-11-16)19(4-2,15-21)20-14-17-8-6-5-7-9-17/h5-13,20-21H,3-4,14-15H2,1-2H3.
What are the key properties of 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol?
2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(4-ethylphenyl)butan-1-ol is sourced from PubChem (CID 61046363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).