1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine

C16H27N — CID 43393753

IUPAC1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCCCc1ccc(C(NCC)C(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-7-8-14-9-11-15(12-10-14)16(13(3)4)17-6-2/h9-13,16-17H,5-8H2,1-4H3
InChIKeyJJIGMIFADKAMJF-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.34
Rot. Bonds7

About 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine

1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 43393753) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
PubChem CID43393753
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
SMILESCCCCc1ccc(C(NCC)C(C)C)cc1
InChIInChI=1S/C16H27N/c1-5-7-8-14-9-11-15(12-10-14)16(13(3)4)17-6-2/h9-13,16-17H,5-8H2,1-4H3
InChIKeyJJIGMIFADKAMJF-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
6-[[[(1R)-1-(4-butylphenyl)-2-methylpropyl]amino]methyl]-1,3,5-triazine-2,4-diamine
CID 8998495
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
2-(4-butylphenyl)-3-methylbutan-1-amine
CID 112507875
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
N-[(4-butylphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 43491214
2-amino-N-[1-(4-butylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272781
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
N-[(4-butylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 43491200
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine (CID 43393753) is 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine is CCCCc1ccc(C(NCC)C(C)C)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is JJIGMIFADKAMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-7-8-14-9-11-15(12-10-14)16(13(3)4)17-6-2/h9-13,16-17H,5-8H2,1-4H3.
What are the key properties of 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine?
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 43393753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).