1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine

C17H29N — CID 114211088

IUPAC1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine
SMILESCCc1ccccc1C(CCCC(C)(C)C)NC
InChIInChI=1S/C17H29N/c1-6-14-10-7-8-11-15(14)16(18-5)12-9-13-17(2,3)4/h7-8,10-11,16,18H,6,9,12-13H2,1-5H3
InChIKeyNXRPCKGNIHWWSR-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.73
Rot. Bonds6

About 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine

1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine (PubChem CID 114211088) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine
PubChem CID114211088
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine
SMILESCCc1ccccc1C(CCCC(C)(C)C)NC
InChIInChI=1S/C17H29N/c1-6-14-10-7-8-11-15(14)16(18-5)12-9-13-17(2,3)4/h7-8,10-11,16,18H,6,9,12-13H2,1-5H3
InChIKeyNXRPCKGNIHWWSR-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 62415682
(2S)-2-(2-ethylphenyl)-2-(methylamino)ethanol
CID 55276460
N-ethyl-1-(2-ethylphenyl)-5-methylhexan-1-amine
CID 105028868
1-(2-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 114209930
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114210914
1-(2-tert-butylphenyl)-4-ethylsulfonyl-N-methylbutan-1-amine
CID 104986270
1-(2-ethylphenyl)hex-5-enylhydrazine
CID 105311405
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903
3-(2-ethylphenyl)-3-(propylamino)propan-1-ol
CID 65235088
1-(2-tert-butylphenyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 115821094
2-(2-ethylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 55067068

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine (CID 114211088) is 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine is CCc1ccccc1C(CCCC(C)(C)C)NC.
What is the InChIKey of 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine?
The InChIKey is NXRPCKGNIHWWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-14-10-7-8-11-15(14)16(18-5)12-9-13-17(2,3)4/h7-8,10-11,16,18H,6,9,12-13H2,1-5H3.
What are the key properties of 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine?
1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 114211088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).