4-(4-tert-butylphenyl)-N-ethylbutan-2-amine

C16H27N — CID 60995834

IUPAC4-(4-tert-butylphenyl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-17-13(2)7-8-14-9-11-15(12-10-14)16(3,4)5/h9-13,17H,6-8H2,1-5H3
InChIKeyHTZSUUUMTCQQOR-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.91
Rot. Bonds5

About 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine

4-(4-tert-butylphenyl)-N-ethylbutan-2-amine (PubChem CID 60995834) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-ethylbutan-2-amine
PubChem CID60995834
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-(4-tert-butylphenyl)-N-ethylbutan-2-amine
SMILESCCNC(C)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-17-13(2)7-8-14-9-11-15(12-10-14)16(3,4)5/h9-13,17H,6-8H2,1-5H3
InChIKeyHTZSUUUMTCQQOR-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652975
4-(4-tert-butylphenyl)-N,N-dimethylbutan-2-amine
CID 19885160
1-(4-tert-butylphenyl)-4-(ethylamino)pentan-2-one
CID 116566765
1-tert-butyl-4-(4-chloro-3-methylbutyl)benzene
CID 64665458
4-(4-tert-butylphenyl)-2-methylbutan-1-ol
CID 64666507
N-ethyl-4,4-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-3-amine
CID 63399897
4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol
CID 71276956
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
4-[3-[(4-tert-butylphenyl)methylamino]butyl]-2-methoxyphenol;ethane
CID 144539772
4-[3-(2,2,3-trimethylbutylamino)butyl]phenol
CID 102673404
N-[3-(4-tert-butylphenyl)propyl]-2-methylpropan-1-amine
CID 63498667

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine (CID 60995834) is 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine is CCNC(C)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine?
The InChIKey is HTZSUUUMTCQQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-17-13(2)7-8-14-9-11-15(12-10-14)16(3,4)5/h9-13,17H,6-8H2,1-5H3.
What are the key properties of 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine?
4-(4-tert-butylphenyl)-N-ethylbutan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-ethylbutan-2-amine is sourced from PubChem (CID 60995834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).