1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol

C16H20BrNO2 — CID 81260100

IUPAC1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO2/c1-11(2)20-10-16(19)9-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11,16,18-19H,9-10H2,1-2H3
InChIKeyDJGUFSCYTWKLGW-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.80
Rot. Bonds6

About 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol

1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 81260100) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID81260100
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNc1ccc2cc(Br)ccc2c1
InChIInChI=1S/C16H20BrNO2/c1-11(2)20-10-16(19)9-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11,16,18-19H,9-10H2,1-2H3
InChIKeyDJGUFSCYTWKLGW-UHFFFAOYSA-N
XLogP3.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-(4-bromo-2-fluoroanilino)-3-propan-2-yloxypropan-2-ol
CID 60897126
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 60900042
2-fluoro-5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzonitrile
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3-[(2-hydroxy-3-propan-2-yloxypropyl)amino]benzamide
CID 107811092
1-(4-bromo-3-methoxyanilino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 82860837
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
2-[(6-bromonaphthalen-2-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 80973341
1-(3-bromo-4-chloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990160
1-[(3-bromophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 61401180

Frequently Asked Questions

What is the IUPAC name of 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol (CID 81260100) is 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNc1ccc2cc(Br)ccc2c1.
What is the InChIKey of 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is DJGUFSCYTWKLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-11(2)20-10-16(19)9-18-15-6-4-12-7-14(17)5-3-13(12)8-15/h3-8,11,16,18-19H,9-10H2,1-2H3.
What are the key properties of 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 338.25 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 81260100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).