1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine

C18H31N — CID 43491199

IUPAC1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCCCc1ccc(C(CCC(C)C)NCC)cc1
InChIInChI=1S/C18H31N/c1-5-7-8-16-10-12-17(13-11-16)18(19-6-2)14-9-15(3)4/h10-13,15,18-19H,5-9,14H2,1-4H3
InChIKeyBMTAAKWRUOGJRS-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.12
Rot. Bonds9

About 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine

1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine (PubChem CID 43491199) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
PubChem CID43491199
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
SMILESCCCCc1ccc(C(CCC(C)C)NCC)cc1
InChIInChI=1S/C18H31N/c1-5-7-8-16-10-12-17(13-11-16)18(19-6-2)14-9-15(3)4/h10-13,15,18-19H,5-9,14H2,1-4H3
InChIKeyBMTAAKWRUOGJRS-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43496397
N-ethyl-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 115834220
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
1-(1-bromo-4-methylpentyl)-4-butylbenzene
CID 55199914
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 107763388
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine (CID 43491199) is 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine is CCCCc1ccc(C(CCC(C)C)NCC)cc1.
What is the InChIKey of 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine?
The InChIKey is BMTAAKWRUOGJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-7-8-16-10-12-17(13-11-16)18(19-6-2)14-9-15(3)4/h10-13,15,18-19H,5-9,14H2,1-4H3.
What are the key properties of 1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine?
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.12, 9 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-4-methylpentan-1-amine is sourced from PubChem (CID 43491199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).