N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine

C14H23NO — CID 79626871

IUPACN-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
SMILESCCNCC(C)(C)COc1ccccc1C
InChIInChI=1S/C14H23NO/c1-5-15-10-14(3,4)11-16-13-9-7-6-8-12(13)2/h6-9,15H,5,10-11H2,1-4H3
InChIKeyBVBJXQZMJSIGCN-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.01
Rot. Bonds6

About N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine

N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine (PubChem CID 79626871) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
PubChem CID79626871
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
SMILESCCNCC(C)(C)COc1ccccc1C
InChIInChI=1S/C14H23NO/c1-5-15-10-14(3,4)11-16-13-9-7-6-8-12(13)2/h6-9,15H,5,10-11H2,1-4H3
InChIKeyBVBJXQZMJSIGCN-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627245
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041
N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
CID 79626722
N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine
CID 79627608
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
N,2-dimethyl-1-(2-methylphenoxy)propan-2-amine
CID 82125739
3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79628432
3-(2-chloro-5-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 114264333
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine (CID 79626871) is N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine is CCNCC(C)(C)COc1ccccc1C.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine?
The InChIKey is BVBJXQZMJSIGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15-10-14(3,4)11-16-13-9-7-6-8-12(13)2/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine is sourced from PubChem (CID 79626871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).