2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol

C17H29NO2 — CID 114491732

IUPAC2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
SMILESCCCNC(C)c1cccc(OCC(C)(O)C(C)C)c1
InChIInChI=1S/C17H29NO2/c1-6-10-18-14(4)15-8-7-9-16(11-15)20-12-17(5,19)13(2)3/h7-9,11,13-14,18-19H,6,10,12H2,1-5H3
InChIKeyHBFLZUHPJLKKRY-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.53
Rot. Bonds8

About 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol

2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol (PubChem CID 114491732) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
PubChem CID114491732
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol
SMILESCCCNC(C)c1cccc(OCC(C)(O)C(C)C)c1
InChIInChI=1S/C17H29NO2/c1-6-10-18-14(4)15-8-7-9-16(11-15)20-12-17(5,19)13(2)3/h7-9,11,13-14,18-19H,6,10,12H2,1-5H3
InChIKeyHBFLZUHPJLKKRY-UHFFFAOYSA-N
XLogP3.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(1R)-1-hydroxyethyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 104930630
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
N-[1-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]propan-1-amine
CID 43280026
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
CID 79168443
1-(3-bromophenoxy)-2,3-dimethylbutan-2-ol
CID 114447732
N-butyl-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61485837
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
N-[1-(3-but-3-en-2-yloxyphenyl)ethyl]propan-1-amine
CID 62389853
N-[1-[3-(2-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 79167760
N-(2-methoxyethyl)-2-[3-[1-(propylamino)ethyl]phenoxy]acetamide
CID 61487649

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol (CID 114491732) is 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol is CCCNC(C)c1cccc(OCC(C)(O)C(C)C)c1.
What is the InChIKey of 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol?
The InChIKey is HBFLZUHPJLKKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-10-18-14(4)15-8-7-9-16(11-15)20-12-17(5,19)13(2)3/h7-9,11,13-14,18-19H,6,10,12H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol?
2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol has a molecular weight of 279.42 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[3-[1-(propylamino)ethyl]phenoxy]butan-2-ol is sourced from PubChem (CID 114491732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).