(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol

C14H21Cl2NO2 — CID 29225195

IUPAC(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol
SMILESCCCOc1c(Cl)cc(Cl)cc1CN[C@H](CC)CO
InChIInChI=1S/C14H21Cl2NO2/c1-3-5-19-14-10(6-11(15)7-13(14)16)8-17-12(4-2)9-18/h6-7,12,17-18H,3-5,8-9H2,1-2H3/t12-/m1/s1
InChIKeyLEBXPRFLMFGNTP-GFCCVEGCSA-N
MW306.23 g/mol
LogP3.64
Rot. Bonds8

About (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol

(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol (PubChem CID 29225195) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol
PubChem CID29225195
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol
SMILESCCCOc1c(Cl)cc(Cl)cc1CN[C@H](CC)CO
InChIInChI=1S/C14H21Cl2NO2/c1-3-5-19-14-10(6-11(15)7-13(14)16)8-17-12(4-2)9-18/h6-7,12,17-18H,3-5,8-9H2,1-2H3/t12-/m1/s1
InChIKeyLEBXPRFLMFGNTP-GFCCVEGCSA-N
XLogP3.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
CID 4717389
2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 43207158
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
CID 66532313
(2R)-2-[(3,5-dibromo-4-propoxyphenyl)methylamino]butan-1-ol
CID 29223205
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol (CID 29225195) is (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol is CCCOc1c(Cl)cc(Cl)cc1CN[C@H](CC)CO.
What is the InChIKey of (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol?
The InChIKey is LEBXPRFLMFGNTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-3-5-19-14-10(6-11(15)7-13(14)16)8-17-12(4-2)9-18/h6-7,12,17-18H,3-5,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol?
(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol has a molecular weight of 306.23 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 29225195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).