2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol

C13H18BrNO — CID 66481065

IUPAC2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
SMILESCc1cc(C(CO)NCC2CC2)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-9-6-11(4-5-12(9)14)13(8-16)15-7-10-2-3-10/h4-6,10,13,15-16H,2-3,7-8H2,1H3
InChIKeyNDFIGDYDPXHZBB-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol

2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol (PubChem CID 66481065) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
PubChem CID66481065
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
SMILESCc1cc(C(CO)NCC2CC2)ccc1Br
InChIInChI=1S/C13H18BrNO/c1-9-6-11(4-5-12(9)14)13(8-16)15-7-10-2-3-10/h4-6,10,13,15-16H,2-3,7-8H2,1H3
InChIKeyNDFIGDYDPXHZBB-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
CID 61055235
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
CID 61056447
2-(4-bromo-3-methylphenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 66480263
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
2-(3,4-dibromophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 114077509
2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 62134825
2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
CID 61054231
1-(4-bromo-3-methylphenyl)-N-cyclopropylethane-1,2-diamine
CID 66475041
methyl 2-(cyclopropylmethylamino)-2-(3,4-dibromophenyl)acetate
CID 114077398
2-(cyclopropylmethylamino)-2-thiophen-3-ylethanol
CID 61054631
2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61055835
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol?
The IUPAC name of 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol (CID 66481065) is 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol.
What is the SMILES notation for 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol?
The canonical SMILES for 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol is Cc1cc(C(CO)NCC2CC2)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol?
The InChIKey is NDFIGDYDPXHZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-6-11(4-5-12(9)14)13(8-16)15-7-10-2-3-10/h4-6,10,13,15-16H,2-3,7-8H2,1H3.
What are the key properties of 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol?
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol has a molecular weight of 284.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol is sourced from PubChem (CID 66481065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).