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

C17H29NO — CID 43731154

IUPACN-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1ccccc1C(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29NO/c1-13(14-10-8-9-11-15(14)19-7)18-17(5,6)12-16(2,3)4/h8-11,13,18H,12H2,1-7H3
InChIKeyXTVRJHPFPGBVCM-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.56
Rot. Bonds5

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

N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine (PubChem CID 43731154) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
PubChem CID43731154
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
SMILESCOc1ccccc1C(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H29NO/c1-13(14-10-8-9-11-15(14)19-7)18-17(5,6)12-16(2,3)4/h8-11,13,18H,12H2,1-7H3
InChIKeyXTVRJHPFPGBVCM-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-ethoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731142
2,4,4-trimethyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43731152
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one
CID 82101006
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
1-(2-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719560
1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methylpentan-2-amine
CID 81396657
3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylbutan-2-ol
CID 81397361
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
CID 104930543
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine (CID 43731154) is N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine is COc1ccccc1C(C)NC(C)(C)CC(C)(C)C.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
The InChIKey is XTVRJHPFPGBVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(14-10-8-9-11-15(14)19-7)18-17(5,6)12-16(2,3)4/h8-11,13,18H,12H2,1-7H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine?
N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 43731154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).