1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol

C17H20ClNO2 — CID 60900159

IUPAC1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
SMILESCc1ccccc1NCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO2/c1-13-4-2-3-5-17(13)19-10-16(20)12-21-11-14-6-8-15(18)9-7-14/h2-9,16,19-20H,10-12H2,1H3
InChIKeyGDJGERDXFQKRKM-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.64
Rot. Bonds7

About 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol (PubChem CID 60900159) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
PubChem CID60900159
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
SMILESCc1ccccc1NCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO2/c1-13-4-2-3-5-17(13)19-10-16(20)12-21-11-14-6-8-15(18)9-7-14/h2-9,16,19-20H,10-12H2,1H3
InChIKeyGDJGERDXFQKRKM-UHFFFAOYSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 60897419
1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol
CID 102805214
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
1-(2-bromo-4-chloroanilino)-3-phenylmethoxypropan-2-ol
CID 81270209
1-(2,4-dichlorophenoxy)-3-(2-methylanilino)propan-2-ol
CID 60899964
1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60900779
1-[(4-chlorophenyl)methoxy]-3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 18207905
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60898020
1-(2-methylanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60902275

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol (CID 60900159) is 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol is Cc1ccccc1NCC(O)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol?
The InChIKey is GDJGERDXFQKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-13-4-2-3-5-17(13)19-10-16(20)12-21-11-14-6-8-15(18)9-7-14/h2-9,16,19-20H,10-12H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol has a molecular weight of 305.81 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol is sourced from PubChem (CID 60900159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).