1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine

C14H23NO — CID 63717044

IUPAC1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
SMILESCCOc1ccccc1C(NC)C(C)CC
InChIInChI=1S/C14H23NO/c1-5-11(3)14(15-4)12-9-7-8-10-13(12)16-6-2/h7-11,14-15H,5-6H2,1-4H3
InChIKeyUXKBKODZSRDWQR-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.39
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine

1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine (PubChem CID 63717044) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
PubChem CID63717044
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine
SMILESCCOc1ccccc1C(NC)C(C)CC
InChIInChI=1S/C14H23NO/c1-5-11(3)14(15-4)12-9-7-8-10-13(12)16-6-2/h7-11,14-15H,5-6H2,1-4H3
InChIKeyUXKBKODZSRDWQR-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115853624
2-cyclopropyl-1-(2-ethoxyphenyl)-N-methylpropan-1-amine
CID 115853704
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
2,2-diethoxy-1-(2-methoxyphenyl)-N-methylethanamine
CID 79496366
1-(2-methoxyphenyl)-N,2-dimethylhexan-1-amine
CID 114246284
2-(2-ethoxyphenyl)-2-(methylamino)acetonitrile
CID 43114978
1-(2-ethoxyphenyl)-N-methyl-2-methylsulfonylethanamine
CID 62786081
1-(4-methoxynaphthalen-1-yl)-N,2-dimethylbutan-1-amine
CID 43480864
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
N,2-dimethyl-1-(2-methylfuran-3-yl)butan-1-amine
CID 104790058
1-(2-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789858

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine (CID 63717044) is 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine is CCOc1ccccc1C(NC)C(C)CC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine?
The InChIKey is UXKBKODZSRDWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(3)14(15-4)12-9-7-8-10-13(12)16-6-2/h7-11,14-15H,5-6H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine?
1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 63717044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).