[6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

C17H17BrClNO — CID 63632585

IUPAC[6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESOCC1(Nc2ccc(Cl)cc2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H17BrClNO/c18-14-2-1-13-10-17(11-21,8-7-12(13)9-14)20-16-5-3-15(19)4-6-16/h1-6,9,20-21H,7-8,10-11H2
InChIKeyHTLHUJYGJVOVJK-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.43
Rot. Bonds3

About [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol

[6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (PubChem CID 63632585) has the molecular formula C17H17BrClNO and a molecular weight of 366.69 g/mol. Its IUPAC name is [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
PubChem CID63632585
Molecular FormulaC17H17BrClNO
Molecular Weight366.69 g/mol
Exact Mass365.02
IUPAC Name[6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
SMILESOCC1(Nc2ccc(Cl)cc2)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H17BrClNO/c18-14-2-1-13-10-17(11-21,8-7-12(13)9-14)20-16-5-3-15(19)4-6-16/h1-6,9,20-21H,7-8,10-11H2
InChIKeyHTLHUJYGJVOVJK-UHFFFAOYSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[6-bromo-2-(3-bromoanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 63632410
[4-(4-bromoanilino)thian-4-yl]methanol
CID 61337584
(2-anilino-1,3-dihydroinden-2-yl)methanol
CID 61047339
[3-(4-bromoanilino)thiolan-3-yl]methanol
CID 61050640
[4-(4-bromoanilino)piperidin-4-yl]methanol
CID 61243008
2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine
CID 65385569
2-[[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]amino]-N-pyrazin-2-ylacetamide
CID 154743089
[1-(4-chloroanilino)-3-methoxycyclobutyl]methanol
CID 106824002
N-[6-bromo-2-(hydroxymethyl)-3,4-dihydro-1H-naphthalen-2-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166412785
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632235
[1-(4-bromoanilino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61048656
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768

Frequently Asked Questions

What is the IUPAC name of [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The IUPAC name of [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol (CID 63632585) is [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol.
What is the SMILES notation for [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The canonical SMILES for [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is OCC1(Nc2ccc(Cl)cc2)CCc2cc(Br)ccc2C1.
What is the InChIKey of [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
The InChIKey is HTLHUJYGJVOVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO/c18-14-2-1-13-10-17(11-21,8-7-12(13)9-14)20-16-5-3-15(19)4-6-16/h1-6,9,20-21H,7-8,10-11H2.
What are the key properties of [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol?
[6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol has a molecular weight of 366.69 g/mol, XLogP of 4.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(4-chloroanilino)-3,4-dihydro-1H-naphthalen-2-yl]methanol is sourced from PubChem (CID 63632585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).