[1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol

C17H26BrNO — CID 63428046

IUPAC[1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol
SMILESCC(C)(C)C1CCCCC1(CO)Nc1cccc(Br)c1
InChIInChI=1S/C17H26BrNO/c1-16(2,3)15-9-4-5-10-17(15,12-20)19-14-8-6-7-13(18)11-14/h6-8,11,15,19-20H,4-5,9-10,12H2,1-3H3
InChIKeyVPAXWMRBCNGMKW-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.83
Rot. Bonds3

About [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol

[1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol (PubChem CID 63428046) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol
PubChem CID63428046
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name[1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol
SMILESCC(C)(C)C1CCCCC1(CO)Nc1cccc(Br)c1
InChIInChI=1S/C17H26BrNO/c1-16(2,3)15-9-4-5-10-17(15,12-20)19-14-8-6-7-13(18)11-14/h6-8,11,15,19-20H,4-5,9-10,12H2,1-3H3
InChIKeyVPAXWMRBCNGMKW-UHFFFAOYSA-N
XLogP4.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-anilino-2-tert-butylcyclohexyl)methanol
CID 61046415
[2-tert-butyl-1-(3-chloroanilino)cyclohexyl]methanol
CID 63428477
[2-(3-bromoanilino)-2-bicyclo[4.1.0]heptanyl]methanol
CID 112740420
[3-(3-bromoanilino)-2-methyloxolan-3-yl]methanol
CID 82717334
[1-(3-bromoanilino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82857123
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
CID 65376853
1-(3-bromoanilino)-4-ethylcyclohexane-1-carboxylic acid
CID 60992854
[1-(3-bromoanilino)-3,5-dimethylcyclohexyl]methanol
CID 64735363
[2,3-dimethyl-1-(3-methylanilino)cyclohexyl]methanol
CID 64754408
1-(3-bromoanilino)-2,2-dimethylcyclohexane-1-carboxylic acid
CID 79847327
1-(3-bromoanilino)-4-tert-butylcycloheptane-1-carbonitrile
CID 65089898
4-(3-bromoanilino)-1-ethylpiperidine-4-carboxylic acid
CID 54890731

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol?
The IUPAC name of [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol (CID 63428046) is [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol.
What is the SMILES notation for [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol?
The canonical SMILES for [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol is CC(C)(C)C1CCCCC1(CO)Nc1cccc(Br)c1.
What is the InChIKey of [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol?
The InChIKey is VPAXWMRBCNGMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-16(2,3)15-9-4-5-10-17(15,12-20)19-14-8-6-7-13(18)11-14/h6-8,11,15,19-20H,4-5,9-10,12H2,1-3H3.
What are the key properties of [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol?
[1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol has a molecular weight of 340.31 g/mol, XLogP of 4.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromoanilino)-2-tert-butylcyclohexyl]methanol is sourced from PubChem (CID 63428046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).