1-(2-tert-butylphenyl)-N-propylpentan-1-amine

C18H31N — CID 115832932

IUPAC1-(2-tert-butylphenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H31N/c1-6-8-13-17(19-14-7-2)15-11-9-10-12-16(15)18(3,4)5/h9-12,17,19H,6-8,13-14H2,1-5H3
InChIKeyISWNFOFHYNJBKW-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.22
Rot. Bonds7

About 1-(2-tert-butylphenyl)-N-propylpentan-1-amine

1-(2-tert-butylphenyl)-N-propylpentan-1-amine (PubChem CID 115832932) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-N-propylpentan-1-amine
PubChem CID115832932
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name1-(2-tert-butylphenyl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H31N/c1-6-8-13-17(19-14-7-2)15-11-9-10-12-16(15)18(3,4)5/h9-12,17,19H,6-8,13-14H2,1-5H3
InChIKeyISWNFOFHYNJBKW-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)hexylhydrazine
CID 105294636
N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104986526
1-(2-tert-butylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004229
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524
1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
1-(3-bromo-2-fluorophenyl)-N-propylpentan-1-amine
CID 106645856
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
1-(2-iodophenyl)-N-propylheptan-1-amine
CID 115833162
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854
1-(3-chloro-2-fluorophenyl)-N-propylpentan-1-amine
CID 64714891
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
1-(2-chlorofuran-3-yl)-N-propylpentan-1-amine
CID 106691699

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-N-propylpentan-1-amine?
The IUPAC name of 1-(2-tert-butylphenyl)-N-propylpentan-1-amine (CID 115832932) is 1-(2-tert-butylphenyl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-tert-butylphenyl)-N-propylpentan-1-amine is CCCCC(NCCC)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-N-propylpentan-1-amine?
The InChIKey is ISWNFOFHYNJBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-8-13-17(19-14-7-2)15-11-9-10-12-16(15)18(3,4)5/h9-12,17,19H,6-8,13-14H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-N-propylpentan-1-amine?
1-(2-tert-butylphenyl)-N-propylpentan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-N-propylpentan-1-amine is sourced from PubChem (CID 115832932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).