3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol

C16H19Cl2NO2 — CID 130373361

IUPAC3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESNCCC(O)C1C=CC=C(OCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H19Cl2NO2/c17-14-5-2-6-15(18)13(14)10-21-12-4-1-3-11(9-12)16(20)7-8-19/h1-6,11,16,20H,7-10,19H2
InChIKeyARJAPTCYPMAGCK-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.68
Rot. Bonds6

About 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol

3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol (PubChem CID 130373361) has the molecular formula C16H19Cl2NO2 and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol
PubChem CID130373361
Molecular FormulaC16H19Cl2NO2
Molecular Weight328.24 g/mol
Exact Mass327.08
IUPAC Name3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESNCCC(O)C1C=CC=C(OCc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C16H19Cl2NO2/c17-14-5-2-6-15(18)13(14)10-21-12-4-1-3-11(9-12)16(20)7-8-19/h1-6,11,16,20H,7-10,19H2
InChIKeyARJAPTCYPMAGCK-UHFFFAOYSA-N
XLogP3.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2,6-dichlorophenyl)methoxy]cyclohexa-1,3-dien-1-yl]oxyethanamine
CID 130373179
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine
CID 170001010
3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol
CID 130373215
2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352768
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
1,3-dichloro-2-(prop-1-en-2-yloxymethyl)benzene
CID 142086955
(2-chloro-6-fluorophenyl)methyl 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 3392488
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol (CID 130373361) is 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol is NCCC(O)C1C=CC=C(OCc2c(Cl)cccc2Cl)C1.
What is the InChIKey of 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol?
The InChIKey is ARJAPTCYPMAGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO2/c17-14-5-2-6-15(18)13(14)10-21-12-4-1-3-11(9-12)16(20)7-8-19/h1-6,11,16,20H,7-10,19H2.
What are the key properties of 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol?
3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol has a molecular weight of 328.24 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[5-[(2,6-dichlorophenyl)methoxy]cyclohexa-2,4-dien-1-yl]propan-1-ol is sourced from PubChem (CID 130373361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).