1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol

C19H24ClNO2 — CID 112820795

IUPAC1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
SMILESCCN(Cc1ccccc1C)CC(O)COc1ccccc1Cl
InChIInChI=1S/C19H24ClNO2/c1-3-21(12-16-9-5-4-8-15(16)2)13-17(22)14-23-19-11-7-6-10-18(19)20/h4-11,17,22H,3,12-14H2,1-2H3
InChIKeyXRSZGNFBOKDDPF-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.91
Rot. Bonds8

About 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol

1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol (PubChem CID 112820795) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
PubChem CID112820795
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol
SMILESCCN(Cc1ccccc1C)CC(O)COc1ccccc1Cl
InChIInChI=1S/C19H24ClNO2/c1-3-21(12-16-9-5-4-8-15(16)2)13-17(22)14-23-19-11-7-6-10-18(19)20/h4-11,17,22H,3,12-14H2,1-2H3
InChIKeyXRSZGNFBOKDDPF-UHFFFAOYSA-N
XLogP3.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717323
(2R)-1-[(2-methylphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93162759
(2R)-1-[[(2R)-butan-2-yl]-[(2-methylphenyl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99732501
1-[benzyl(ethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol
CID 4618279
(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722
1-[ethyl(furan-3-ylmethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 110922574
1-[(2,4-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 42682310
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
1-(2-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 112840259

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol (CID 112820795) is 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol is CCN(Cc1ccccc1C)CC(O)COc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol?
The InChIKey is XRSZGNFBOKDDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO2/c1-3-21(12-16-9-5-4-8-15(16)2)13-17(22)14-23-19-11-7-6-10-18(19)20/h4-11,17,22H,3,12-14H2,1-2H3.
What are the key properties of 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol?
1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol has a molecular weight of 333.86 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-[ethyl-[(2-methylphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 112820795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).