(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol

C17H28ClNO2 — CID 40654769

IUPAC(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol
SMILESCCCCC[C@@H](C)NC[C@@H](O)COCc1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-3-4-5-8-14(2)19-11-16(20)13-21-12-15-9-6-7-10-17(15)18/h6-7,9-10,14,16,19-20H,3-5,8,11-13H2,1-2H3/t14-,16-/m1/s1
InChIKeyLFWAWRNAGYWOIA-GDBMZVCRSA-N
MW313.87 g/mol
LogP3.78
Rot. Bonds11

About (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol

(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol (PubChem CID 40654769) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol
PubChem CID40654769
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol
SMILESCCCCC[C@@H](C)NC[C@@H](O)COCc1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-3-4-5-8-14(2)19-11-16(20)13-21-12-15-9-6-7-10-17(15)18/h6-7,9-10,14,16,19-20H,3-5,8,11-13H2,1-2H3/t14-,16-/m1/s1
InChIKeyLFWAWRNAGYWOIA-GDBMZVCRSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
CID 115325367
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
N-[(2-chlorophenyl)methyl]nonan-2-amine
CID 43129766
1-(4-chlorophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635716
(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 2561544
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 110909172
1-(hexan-2-ylamino)-3-phenoxypropan-2-ol
CID 54196507

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol (CID 40654769) is (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol is CCCCC[C@@H](C)NC[C@@H](O)COCc1ccccc1Cl.
What is the InChIKey of (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol?
The InChIKey is LFWAWRNAGYWOIA-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-3-4-5-8-14(2)19-11-16(20)13-21-12-15-9-6-7-10-17(15)18/h6-7,9-10,14,16,19-20H,3-5,8,11-13H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol?
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol has a molecular weight of 313.87 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol is sourced from PubChem (CID 40654769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).