1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine

C16H27NO — CID 105146068

IUPAC1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCCCCOc1ccc(C(NC)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-7-12-18-14-10-8-13(9-11-14)15(17-5)16(2,3)4/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyYYANCHNHGOINJC-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.17
Rot. Bonds6

About 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine

1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 105146068) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID105146068
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCCCCOc1ccc(C(NC)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-6-7-12-18-14-10-8-13(9-11-14)15(17-5)16(2,3)4/h8-11,15,17H,6-7,12H2,1-5H3
InChIKeyYYANCHNHGOINJC-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-butoxyphenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 105145927
2-(4-butoxyphenyl)-3,3-dimethylbutanenitrile oxide
CID 118632817
1-(4-butoxyphenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032329
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 79052774
1,2-bis(4-octadecoxyphenyl)ethane-1,2-dithiol
CID 101102634
1,2-bis(4-octoxyphenyl)ethane-1,2-dithiol
CID 101102640
[(1S)-1-(4-butoxyphenyl)ethyl]hydrazine
CID 98014048
N,2-dimethyl-4-(4-propoxyphenyl)pentan-3-amine
CID 79298179
N,2,3-trimethyl-1-(4-propoxyphenyl)butan-1-amine
CID 115853346
1,4-dipentoxybenzene
CID 18314717
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine (CID 105146068) is 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine is CCCCOc1ccc(C(NC)C(C)(C)C)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is YYANCHNHGOINJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-7-12-18-14-10-8-13(9-11-14)15(17-5)16(2,3)4/h8-11,15,17H,6-7,12H2,1-5H3.
What are the key properties of 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine?
1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 105146068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).