[4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol

C17H20BrNO — CID 84609927

IUPAC[4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol
SMILESCC(C)(CN)c1ccc(C(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-17(2,11-19)14-8-6-12(7-9-14)16(20)13-4-3-5-15(18)10-13/h3-10,16,20H,11,19H2,1-2H3
InChIKeyHHMAFEGRGOZQCO-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.77
Rot. Bonds4

About [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol

[4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol (PubChem CID 84609927) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol.

Molecular Properties

Compound Name[4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol
PubChem CID84609927
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name[4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol
SMILESCC(C)(CN)c1ccc(C(O)c2cccc(Br)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-17(2,11-19)14-8-6-12(7-9-14)16(20)13-4-3-5-15(18)10-13/h3-10,16,20H,11,19H2,1-2H3
InChIKeyHHMAFEGRGOZQCO-UHFFFAOYSA-N
XLogP3.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
(3-bromophenyl)-(4-ethoxyphenyl)methanol
CID 46205463
(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol
CID 65188289
(3-bromophenyl)-(3-methylsulfanylphenyl)methanol
CID 91657590
(R)-(3-bromophenyl)-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanol
CID 129403833
5-[(3-bromophenyl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 62300264
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
2-(3-bromophenyl)-2-(4-tert-butylphenyl)sulfanylethanamine
CID 63539247
[3-[1-(aminomethyl)cyclopropyl]phenyl]-(4-bromophenyl)methanol
CID 84609425
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153

Frequently Asked Questions

What is the IUPAC name of [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol?
The IUPAC name of [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol (CID 84609927) is [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol.
What is the SMILES notation for [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol?
The canonical SMILES for [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol is CC(C)(CN)c1ccc(C(O)c2cccc(Br)c2)cc1.
What is the InChIKey of [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol?
The InChIKey is HHMAFEGRGOZQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-17(2,11-19)14-8-6-12(7-9-14)16(20)13-4-3-5-15(18)10-13/h3-10,16,20H,11,19H2,1-2H3.
What are the key properties of [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol?
[4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol has a molecular weight of 334.26 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-amino-2-methylpropan-2-yl)phenyl]-(3-bromophenyl)methanol is sourced from PubChem (CID 84609927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).