N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine

C18H31NO — CID 43731142

IUPACN-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
SMILESCCOc1ccccc1C(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H31NO/c1-8-20-16-12-10-9-11-15(16)14(2)19-18(6,7)13-17(3,4)5/h9-12,14,19H,8,13H2,1-7H3
InChIKeyMJCFKKDXYJMVTM-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.95
Rot. Bonds6

About N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine

N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 43731142) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
PubChem CID43731142
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
SMILESCCOc1ccccc1C(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C18H31NO/c1-8-20-16-12-10-9-11-15(16)14(2)19-18(6,7)13-17(3,4)5/h9-12,14,19H,8,13H2,1-7H3
InChIKeyMJCFKKDXYJMVTM-UHFFFAOYSA-N
XLogP4.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731154
N-[1-(2-ethoxyphenyl)ethyl]-2-methylbut-3-yn-2-amine
CID 63998892
2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43731152
N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460376
N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 43190017
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920
2,6-dibromo-N-[1-(2-ethoxyphenyl)ethyl]aniline
CID 107596896
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
N-[(2-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 2242368
(2R)-1-[1-(2-ethoxyphenyl)ethylamino]propan-2-ol
CID 103906642
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine (CID 43731142) is N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine is CCOc1ccccc1C(C)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is MJCFKKDXYJMVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-8-20-16-12-10-9-11-15(16)14(2)19-18(6,7)13-17(3,4)5/h9-12,14,19H,8,13H2,1-7H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 43731142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).