1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol

C16H26BrNO — CID 103522246

IUPAC1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
SMILESCC(Cc1ccc(Br)cc1)NCC(O)CC(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-12(9-13-5-7-14(17)8-6-13)18-11-15(19)10-16(2,3)4/h5-8,12,15,18-19H,9-11H2,1-4H3
InChIKeyDVXLIHRGWMODKL-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.77
Rot. Bonds6

About 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol

1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol (PubChem CID 103522246) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
PubChem CID103522246
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
SMILESCC(Cc1ccc(Br)cc1)NCC(O)CC(C)(C)C
InChIInChI=1S/C16H26BrNO/c1-12(9-13-5-7-14(17)8-6-13)18-11-15(19)10-16(2,3)4/h5-8,12,15,18-19H,9-11H2,1-4H3
InChIKeyDVXLIHRGWMODKL-UHFFFAOYSA-N
XLogP3.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151396
4,4-dimethyl-1-(4-methylpentan-2-ylamino)pentan-2-ol
CID 115721181
1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 102612767
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
CID 103522481
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
CID 103522146
3-[1-(4-bromophenyl)propan-2-ylamino]-2,2-difluoropropan-1-ol
CID 103522473
1-[1-(5-bromofuran-2-yl)ethylamino]-4,4-dimethylpentan-2-ol
CID 107093693
N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
CID 106675197
1-(4-bromophenyl)-3,3-dimethylbutan-2-ol
CID 60798446
2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
CID 103522264
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol (CID 103522246) is 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol is CC(Cc1ccc(Br)cc1)NCC(O)CC(C)(C)C.
What is the InChIKey of 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is DVXLIHRGWMODKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-12(9-13-5-7-14(17)8-6-13)18-11-15(19)10-16(2,3)4/h5-8,12,15,18-19H,9-11H2,1-4H3.
What are the key properties of 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol?
1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 328.29 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103522246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).