1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine

C18H31N — CID 43490297

IUPAC1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H31N/c1-6-9-15(5)18(19-8-3)17-12-10-16(11-13-17)14(4)7-2/h10-15,18-19H,6-9H2,1-5H3
InChIKeyOSUCKQNCWZLLEE-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.29
Rot. Bonds8

About 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine

1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 43490297) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
PubChem CID43490297
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1ccc(C(C)CC)cc1
InChIInChI=1S/C18H31N/c1-6-9-15(5)18(19-8-3)17-12-10-16(11-13-17)14(4)7-2/h10-15,18-19H,6-9H2,1-5H3
InChIKeyOSUCKQNCWZLLEE-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methyl-1-pyridin-4-ylpentan-1-amine
CID 107893389
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83153900
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 114013851
1-butan-2-yl-4-octan-4-ylbenzene
CID 123736908
1-[4-(4-butan-2-ylphenyl)phenyl]-N-ethylethanamine
CID 63424435
1-(4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43494981
1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893798

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine (CID 43490297) is 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)c1ccc(C(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is OSUCKQNCWZLLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-9-15(5)18(19-8-3)17-12-10-16(11-13-17)14(4)7-2/h10-15,18-19H,6-9H2,1-5H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine?
1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 43490297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).