(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol

C10H13Cl2NO — CID 95001596

IUPAC(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
SMILESNC[C@H](CO)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO/c11-9-3-1-2-8(10(9)12)4-7(5-13)6-14/h1-3,7,14H,4-6,13H2/t7-/m1/s1
InChIKeyRPCBQZHHUFVTPQ-SSDOTTSWSA-N
MW234.13 g/mol
LogP2.10
Rot. Bonds4

About (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol

(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol (PubChem CID 95001596) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
PubChem CID95001596
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
SMILESNC[C@H](CO)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C10H13Cl2NO/c11-9-3-1-2-8(10(9)12)4-7(5-13)6-14/h1-3,7,14H,4-6,13H2/t7-/m1/s1
InChIKeyRPCBQZHHUFVTPQ-SSDOTTSWSA-N
XLogP2.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107310710
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
2-(aminomethyl)-4-(2,3-dichlorophenyl)-3-methylbutan-1-ol
CID 83924661
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
CID 63215682
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
CID 83924659
1-(2,3-dichlorophenyl)propan-2-ol;methanol
CID 144705964
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol (CID 95001596) is (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol is NC[C@H](CO)Cc1cccc(Cl)c1Cl.
What is the InChIKey of (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol?
The InChIKey is RPCBQZHHUFVTPQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c11-9-3-1-2-8(10(9)12)4-7(5-13)6-14/h1-3,7,14H,4-6,13H2/t7-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol?
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol has a molecular weight of 234.13 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol is sourced from PubChem (CID 95001596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).