(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol

C12H18ClNO2 — CID 171477760

IUPAC(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
SMILESO[C@H](CNCCCl)COCc1ccccc1
InChIInChI=1S/C12H18ClNO2/c13-6-7-14-8-12(15)10-16-9-11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2/t12-/m1/s1
InChIKeyDKQMGQOVAKRUMJ-GFCCVEGCSA-N
MW243.73 g/mol
LogP1.39
Rot. Bonds8

About (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol

(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol (PubChem CID 171477760) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
PubChem CID171477760
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol
SMILESO[C@H](CNCCCl)COCc1ccccc1
InChIInChI=1S/C12H18ClNO2/c13-6-7-14-8-12(15)10-16-9-11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2/t12-/m1/s1
InChIKeyDKQMGQOVAKRUMJ-GFCCVEGCSA-N
XLogP1.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]propanamide
CID 54938672
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
2-[[(2R)-2-hydroxy-3-phenylmethoxypropyl]amino]ethyl hydrogen sulfate
CID 59382834
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
(2R)-1-phenylmethoxy-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 140879411
2-[2-[(2-hydroxy-3-phenylmethoxypropyl)amino]ethoxy]acetamide
CID 106237845
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-(2-cyclopropylpropylamino)-3-phenylmethoxypropan-2-ol
CID 115591857
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 102417589

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol?
The IUPAC name of (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol (CID 171477760) is (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol is O[C@H](CNCCCl)COCc1ccccc1.
What is the InChIKey of (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol?
The InChIKey is DKQMGQOVAKRUMJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18ClNO2/c13-6-7-14-8-12(15)10-16-9-11-4-2-1-3-5-11/h1-5,12,14-15H,6-10H2/t12-/m1/s1.
What are the key properties of (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol?
(2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol has a molecular weight of 243.73 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloroethylamino)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 171477760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).