(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol

C18H28ClNO2 — CID 2392576

IUPAC(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol
SMILESCCN(C[C@H](O)COCc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H28ClNO2/c1-2-20(17-6-4-3-5-7-17)12-18(21)14-22-13-15-8-10-16(19)11-9-15/h8-11,17-18,21H,2-7,12-14H2,1H3/t18-/m0/s1
InChIKeyUDGVNVUFJGOZDT-SFHVURJKSA-N
MW325.88 g/mol
LogP3.87
Rot. Bonds8

About (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol

(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol (PubChem CID 2392576) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol
PubChem CID2392576
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol
SMILESCCN(C[C@H](O)COCc1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C18H28ClNO2/c1-2-20(17-6-4-3-5-7-17)12-18(21)14-22-13-15-8-10-16(19)11-9-15/h8-11,17-18,21H,2-7,12-14H2,1H3/t18-/m0/s1
InChIKeyUDGVNVUFJGOZDT-SFHVURJKSA-N
XLogP3.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopentyl(ethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 110892630
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol
CID 41474577
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
1-[cyclopropyl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24714099
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431
1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344
1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-methylamino]acetonitrile
CID 110929641
1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
1-[cyclopentyl(ethyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110892631

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol (CID 2392576) is (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol is CCN(C[C@H](O)COCc1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol?
The InChIKey is UDGVNVUFJGOZDT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28ClNO2/c1-2-20(17-6-4-3-5-7-17)12-18(21)14-22-13-15-8-10-16(19)11-9-15/h8-11,17-18,21H,2-7,12-14H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol?
(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol has a molecular weight of 325.88 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol is sourced from PubChem (CID 2392576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).