N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine

C15H25NO — CID 64570264

IUPACN-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCCOc1cccc(CNCC(C)C(C)C)c1
InChIInChI=1S/C15H25NO/c1-5-17-15-8-6-7-14(9-15)11-16-10-13(4)12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyAKHKUTPDPNTAIV-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.47
Rot. Bonds7

About N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine

N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 64570264) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID64570264
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCCOc1cccc(CNCC(C)C(C)C)c1
InChIInChI=1S/C15H25NO/c1-5-17-15-8-6-7-14(9-15)11-16-10-13(4)12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3
InChIKeyAKHKUTPDPNTAIV-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
CID 115655619
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367
3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731605
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 54937824
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073056
N-[(3-ethoxyphenyl)methyl]prop-2-yn-1-amine
CID 60873507
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724266
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
4-[[(3-ethoxyphenyl)methylamino]methyl]phenol
CID 60777598
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine (CID 64570264) is N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine is CCOc1cccc(CNCC(C)C(C)C)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is AKHKUTPDPNTAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-17-15-8-6-7-14(9-15)11-16-10-13(4)12(2)3/h6-9,12-13,16H,5,10-11H2,1-4H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine?
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64570264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).