1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine

C17H29NO — CID 116759724

IUPAC1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-17(7-2,19-8-3)16(18)12-15-10-9-13(4)14(5)11-15/h9-11,16H,6-8,12,18H2,1-5H3
InChIKeyNDLGUBMVUIKSPM-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.77
Rot. Bonds7

About 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine

1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine (PubChem CID 116759724) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine
PubChem CID116759724
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine
SMILESCCOC(CC)(CC)C(N)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H29NO/c1-6-17(7-2,19-8-3)16(18)12-15-10-9-13(4)14(5)11-15/h9-11,16H,6-8,12,18H2,1-5H3
InChIKeyNDLGUBMVUIKSPM-UHFFFAOYSA-N
XLogP3.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-3-ethyl-1-(4-methylphenyl)pentan-2-amine
CID 116759601
3-ethoxy-3-ethyl-1-phenylpentan-2-amine
CID 116759543
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759577
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198122
1,2-dimethyl-4-(2,2,2-triethoxyethyl)benzene
CID 62903326
1,3-bis(3,4-dimethylphenyl)propan-2-ylhydrazine
CID 105215161
4-(2-ethylbutyl)-1,2-dimethylbenzene
CID 91377891
1-(4-chloro-2-fluorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 114857144
1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
CID 79615957
1-(3,4-dimethylphenyl)-2-hydrazinyl-N,N,3-trimethylpentan-3-amine
CID 105240604
1-(4-bromo-2-chlorophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759497
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine (CID 116759724) is 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine is CCOC(CC)(CC)C(N)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine?
The InChIKey is NDLGUBMVUIKSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-17(7-2,19-8-3)16(18)12-15-10-9-13(4)14(5)11-15/h9-11,16H,6-8,12,18H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine?
1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-ethoxy-3-ethylpentan-2-amine is sourced from PubChem (CID 116759724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).