3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol

C17H28BrNO — CID 63487544

IUPAC3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
SMILESCC(C)CN(CCC(O)c1ccc(Br)cc1)CC(C)C
InChIInChI=1S/C17H28BrNO/c1-13(2)11-19(12-14(3)4)10-9-17(20)15-5-7-16(18)8-6-15/h5-8,13-14,17,20H,9-12H2,1-4H3
InChIKeyDQFDVCNXAJWCTF-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.49
Rot. Bonds8

About 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol

3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol (PubChem CID 63487544) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
PubChem CID63487544
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
SMILESCC(C)CN(CCC(O)c1ccc(Br)cc1)CC(C)C
InChIInChI=1S/C17H28BrNO/c1-13(2)11-19(12-14(3)4)10-9-17(20)15-5-7-16(18)8-6-15/h5-8,13-14,17,20H,9-12H2,1-4H3
InChIKeyDQFDVCNXAJWCTF-UHFFFAOYSA-N
XLogP4.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bis(2-methylpropyl)amino]-1-(4-butan-2-ylphenyl)propan-1-ol
CID 110830722
1-(4-bromophenyl)-N',N'-bis(2-methylpropyl)propane-1,3-diamine
CID 63494766
1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 107401727
1-(4-bromophenyl)-3-[butan-2-yl(2-methoxyethyl)amino]propan-1-ol
CID 62617478
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971
1-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 62608151
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227
3-[methyl(2-methylpropyl)amino]-1-phenylpropan-1-ol
CID 62613916
1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol
CID 62623839
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
1-(4-bromophenyl)-2-[2,2-difluoroethyl(2-methoxyethyl)amino]ethanol
CID 110936012

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol (CID 63487544) is 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol is CC(C)CN(CCC(O)c1ccc(Br)cc1)CC(C)C.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol?
The InChIKey is DQFDVCNXAJWCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-13(2)11-19(12-14(3)4)10-9-17(20)15-5-7-16(18)8-6-15/h5-8,13-14,17,20H,9-12H2,1-4H3.
What are the key properties of 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol?
3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol has a molecular weight of 342.32 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol is sourced from PubChem (CID 63487544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).