1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol

C15H25NO3 — CID 54937824

IUPAC1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCCOc1cccc(CNCC(O)COC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-4-18-15-7-5-6-13(8-15)9-16-10-14(17)11-19-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyFHQAKKDSBDFZRZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.96
Rot. Bonds9

About 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol

1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 54937824) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID54937824
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol
SMILESCCOc1cccc(CNCC(O)COC(C)C)c1
InChIInChI=1S/C15H25NO3/c1-4-18-15-7-5-6-13(8-15)9-16-10-14(17)11-19-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyFHQAKKDSBDFZRZ-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
2-ethoxy-N-[(3-ethoxyphenyl)methyl]propan-1-amine
CID 115655619
N-[(3-ethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570264
1-[(3-methoxyphenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60632107
3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731605
1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 62338062
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073056
1-(2-ethoxyethoxy)-3-[(3-methoxyphenyl)methylamino]propan-2-ol
CID 60632288
6-[(2S)-3-[(3-ethoxyphenyl)methylamino]-2-hydroxypropoxy]-1H-quinolin-2-one;hydrochloride
CID 18647172
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol (CID 54937824) is 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol is CCOc1cccc(CNCC(O)COC(C)C)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is FHQAKKDSBDFZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-18-15-7-5-6-13(8-15)9-16-10-14(17)11-19-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3.
What are the key properties of 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol?
1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)methylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 54937824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).