(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol

C13H18BrNO — CID 103894761

IUPAC(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCCc2ccc(Br)cc21
InChIInChI=1S/C13H18BrNO/c1-9(8-16)15-13-4-2-3-10-5-6-11(14)7-12(10)13/h5-7,9,13,15-16H,2-4,8H2,1H3/t9-,13?/m1/s1
InChIKeyVJJRFYZTAQFKMT-CGCSKFHYSA-N
MW284.20 g/mol
LogP2.80
Rot. Bonds3

About (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol

(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol (PubChem CID 103894761) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
PubChem CID103894761
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
SMILESC[C@H](CO)NC1CCCc2ccc(Br)cc21
InChIInChI=1S/C13H18BrNO/c1-9(8-16)15-13-4-2-3-10-5-6-11(14)7-12(10)13/h5-7,9,13,15-16H,2-4,8H2,1H3/t9-,13?/m1/s1
InChIKeyVJJRFYZTAQFKMT-CGCSKFHYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol with MolForge

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Related Compounds

2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol
CID 167937954
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
8-(pent-4-en-2-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090967
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
8-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106158830
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82775610
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82964579
(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97158290
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
CID 79238909
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]butan-1-ol
CID 81338825

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol (CID 103894761) is (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol is C[C@H](CO)NC1CCCc2ccc(Br)cc21.
What is the InChIKey of (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
The InChIKey is VJJRFYZTAQFKMT-CGCSKFHYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9(8-16)15-13-4-2-3-10-5-6-11(14)7-12(10)13/h5-7,9,13,15-16H,2-4,8H2,1H3/t9-,13?/m1/s1.
What are the key properties of (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol?
(2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol has a molecular weight of 284.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol is sourced from PubChem (CID 103894761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).