1-(4-butylphenyl)-N,2-diethylhexan-1-amine

C20H35N — CID 63507624

IUPAC1-(4-butylphenyl)-N,2-diethylhexan-1-amine
SMILESCCCCc1ccc(C(NCC)C(CC)CCCC)cc1
InChIInChI=1S/C20H35N/c1-5-9-11-17-13-15-19(16-14-17)20(21-8-4)18(7-3)12-10-6-2/h13-16,18,20-21H,5-12H2,1-4H3
InChIKeyVRZSEKOBJYLIJR-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.90
Rot. Bonds11

About 1-(4-butylphenyl)-N,2-diethylhexan-1-amine

1-(4-butylphenyl)-N,2-diethylhexan-1-amine (PubChem CID 63507624) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N,2-diethylhexan-1-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N,2-diethylhexan-1-amine
PubChem CID63507624
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name1-(4-butylphenyl)-N,2-diethylhexan-1-amine
SMILESCCCCc1ccc(C(NCC)C(CC)CCCC)cc1
InChIInChI=1S/C20H35N/c1-5-9-11-17-13-15-19(16-14-17)20(21-8-4)18(7-3)12-10-6-2/h13-16,18,20-21H,5-12H2,1-4H3
InChIKeyVRZSEKOBJYLIJR-UHFFFAOYSA-N
XLogP5.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N,2-diethyl-1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43489783
N,2-diethyl-1-(4-fluoro-3-methylphenyl)hexan-1-amine
CID 79747386
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-diethylhexan-1-amine
CID 63020243
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine
CID 105050261
1-(1-bromo-2-ethylbutyl)-4-butylbenzene
CID 55199725
[2-ethyl-1-(4-propylphenyl)butyl]hydrazine
CID 105303738
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
N,2-diethyl-1-quinolin-7-ylhexan-1-amine
CID 105021496
1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 105022228

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N,2-diethylhexan-1-amine?
The IUPAC name of 1-(4-butylphenyl)-N,2-diethylhexan-1-amine (CID 63507624) is 1-(4-butylphenyl)-N,2-diethylhexan-1-amine.
What is the SMILES notation for 1-(4-butylphenyl)-N,2-diethylhexan-1-amine?
The canonical SMILES for 1-(4-butylphenyl)-N,2-diethylhexan-1-amine is CCCCc1ccc(C(NCC)C(CC)CCCC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N,2-diethylhexan-1-amine?
The InChIKey is VRZSEKOBJYLIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-5-9-11-17-13-15-19(16-14-17)20(21-8-4)18(7-3)12-10-6-2/h13-16,18,20-21H,5-12H2,1-4H3.
What are the key properties of 1-(4-butylphenyl)-N,2-diethylhexan-1-amine?
1-(4-butylphenyl)-N,2-diethylhexan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.90, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N,2-diethylhexan-1-amine is sourced from PubChem (CID 63507624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).