2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol

C18H22BrNO — CID 63428353

IUPAC2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol
SMILESCC(C)CC(CO)(Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H22BrNO/c1-14(2)12-18(13-21,15-6-4-3-5-7-15)20-17-10-8-16(19)9-11-17/h3-11,14,20-21H,12-13H2,1-2H3
InChIKeyCZDLUEMVDCKNMB-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.79
Rot. Bonds6

About 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol

2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol (PubChem CID 63428353) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol.

Molecular Properties

Compound Name2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol
PubChem CID63428353
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol
SMILESCC(C)CC(CO)(Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H22BrNO/c1-14(2)12-18(13-21,15-6-4-3-5-7-15)20-17-10-8-16(19)9-11-17/h3-11,14,20-21H,12-13H2,1-2H3
InChIKeyCZDLUEMVDCKNMB-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyanilino)-2-phenylbutan-1-ol
CID 61045130
2-(4-methoxyanilino)-2-phenylpentan-1-ol
CID 61045133
2-(benzylamino)-2-(4-bromophenyl)butan-1-ol
CID 61046914
2-(4-bromoanilino)-3-hydroxy-2-methylpropanoic acid
CID 130509235
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
2-(3-bromoanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048068
2-(4-bromophenyl)-2-(methylamino)butan-1-ol
CID 61056533
2-(4-bromoanilino)-2,5-dimethylhexanoic acid
CID 60994545
2-(methylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695488
methyl 3-(4-bromophenyl)-2,4-dihydroxy-3-phenylbutanoate
CID 70277013
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol?
The IUPAC name of 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol (CID 63428353) is 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol.
What is the SMILES notation for 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol?
The canonical SMILES for 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol is CC(C)CC(CO)(Nc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol?
The InChIKey is CZDLUEMVDCKNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-14(2)12-18(13-21,15-6-4-3-5-7-15)20-17-10-8-16(19)9-11-17/h3-11,14,20-21H,12-13H2,1-2H3.
What are the key properties of 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol?
2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol has a molecular weight of 348.28 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-4-methyl-2-phenylpentan-1-ol is sourced from PubChem (CID 63428353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).