N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine

C17H29N — CID 45282077

IUPACN-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine
SMILESCCCCc1ccc(C(C)NC(C)(C)CC)cc1
InChIInChI=1S/C17H29N/c1-6-8-9-15-10-12-16(13-11-15)14(3)18-17(4,5)7-2/h10-14,18H,6-9H2,1-5H3
InChIKeyZIGQASKISVWQSX-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.87
Rot. Bonds7

About N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine

N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine (PubChem CID 45282077) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine
PubChem CID45282077
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine
SMILESCCCCc1ccc(C(C)NC(C)(C)CC)cc1
InChIInChI=1S/C17H29N/c1-6-8-9-15-10-12-16(13-11-15)14(3)18-17(4,5)7-2/h10-14,18H,6-9H2,1-5H3
InChIKeyZIGQASKISVWQSX-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butan-2-amine
CID 45253324
3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359024
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
[(1R)-1-(4-pentylphenyl)ethyl]hydrazine
CID 124633889
1-(4-pentylphenyl)ethylhydrazine
CID 53402344
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
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
CID 43105137
4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772313

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine (CID 45282077) is N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine is CCCCc1ccc(C(C)NC(C)(C)CC)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine?
The InChIKey is ZIGQASKISVWQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-8-9-15-10-12-16(13-11-15)14(3)18-17(4,5)7-2/h10-14,18H,6-9H2,1-5H3.
What are the key properties of N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine?
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 45282077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).