(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol

C10H13BrClNO — CID 114987242

IUPAC(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO/c1-7(6-14)13-5-8-2-3-10(12)9(11)4-8/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyKZJUGNCARAPBOR-SSDOTTSWSA-N
MW278.58 g/mol
LogP2.57
Rot. Bonds4

About (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol

(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol (PubChem CID 114987242) has the molecular formula C10H13BrClNO and a molecular weight of 278.58 g/mol. Its IUPAC name is (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
PubChem CID114987242
Molecular FormulaC10H13BrClNO
Molecular Weight278.58 g/mol
Exact Mass276.99
IUPAC Name(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO/c1-7(6-14)13-5-8-2-3-10(12)9(11)4-8/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyKZJUGNCARAPBOR-SSDOTTSWSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
N-[(3-bromo-4-chlorophenyl)methyl]-1-methylsulfonylpropan-2-amine
CID 83236108
N-[(3-bromo-4-chlorophenyl)methyl]-1-cyclopentylethanamine
CID 83231090
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 83230762
ethyl 2-[(3-bromo-4-chlorophenyl)methylamino]propanoate
CID 83230089
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
N-[(3-bromo-4-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 83235526
1-bromo-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 107859511
N-[(3-bromo-4-chlorophenyl)methyl]-1-(2H-tetrazol-5-yl)ethanamine
CID 83230500
N-[(3-bromo-4-chlorophenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114167935

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol (CID 114987242) is (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol is C[C@H](CO)NCc1ccc(Cl)c(Br)c1.
What is the InChIKey of (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol?
The InChIKey is KZJUGNCARAPBOR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13BrClNO/c1-7(6-14)13-5-8-2-3-10(12)9(11)4-8/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol?
(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol has a molecular weight of 278.58 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 114987242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).