2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine

C20H35N — CID 66259547

IUPAC2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(C(C)(C)CC)cc1)C(CC)CC
InChIInChI=1S/C20H35N/c1-7-15-21-19(16(8-2)9-3)17-11-13-18(14-12-17)20(5,6)10-4/h11-14,16,19,21H,7-10,15H2,1-6H3
InChIKeyPKSJCVHZFPYLRG-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.85
Rot. Bonds9

About 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine

2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine (PubChem CID 66259547) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine
PubChem CID66259547
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(C(C)(C)CC)cc1)C(CC)CC
InChIInChI=1S/C20H35N/c1-7-15-21-19(16(8-2)9-3)17-11-13-18(14-12-17)20(5,6)10-4/h11-14,16,19,21H,7-10,15H2,1-6H3
InChIKeyPKSJCVHZFPYLRG-UHFFFAOYSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine
CID 106849374
1-(4-tert-butylphenyl)-2-methoxy-N-propylbutan-1-amine
CID 116715912
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687
N,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]pentan-1-amine
CID 66258012
1-(4-tert-butylphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518693
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63473433
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
4-[4-(2-methylbutan-2-yl)phenoxy]-N-propylbutan-2-amine
CID 63476133
2-(4-tert-butylphenyl)-N-propylpentan-3-amine
CID 79307383

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine?
The IUPAC name of 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine (CID 66259547) is 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine?
The canonical SMILES for 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine is CCCNC(c1ccc(C(C)(C)CC)cc1)C(CC)CC.
What is the InChIKey of 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine?
The InChIKey is PKSJCVHZFPYLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-15-21-19(16(8-2)9-3)17-11-13-18(14-12-17)20(5,6)10-4/h11-14,16,19,21H,7-10,15H2,1-6H3.
What are the key properties of 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine?
2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]-N-propylbutan-1-amine is sourced from PubChem (CID 66259547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).