4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol

C12H19BrN2O — CID 67147967

IUPAC4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol
SMILESCC(C)(N)CC(CO)c1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2O/c1-12(2,15)6-8(7-16)10-5-9(13)3-4-11(10)14/h3-5,8,16H,6-7,14-15H2,1-2H3
InChIKeyZPOMIBMRFTTZNM-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.23
Rot. Bonds4

About 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol

4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol (PubChem CID 67147967) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol
PubChem CID67147967
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol
SMILESCC(C)(N)CC(CO)c1cc(Br)ccc1N
InChIInChI=1S/C12H19BrN2O/c1-12(2,15)6-8(7-16)10-5-9(13)3-4-11(10)14/h3-5,8,16H,6-7,14-15H2,1-2H3
InChIKeyZPOMIBMRFTTZNM-UHFFFAOYSA-N
XLogP2.23
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-bromophenyl)-2,2-dimethylpropan-1-ol
CID 82703334
1-(2-amino-5-bromophenyl)ethanol
CID 68865052
1-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 116933616
4-bromo-2-(1-hydrazinyl-2,2-dimethylpropyl)aniline
CID 105263598
2-(2-amino-5-bromophenyl)propan-2-ol
CID 12042275
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
2-(2-amino-4-bromophenyl)propan-2-ol
CID 57155706
1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415
4-bromo-2-(1-hydrazinyl-4-methylpent-4-enyl)aniline
CID 105263475
S-[3-(2-amino-5-bromophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170823031
1-(2-amino-5-bromophenyl)-4-methylpent-4-en-1-ol
CID 114474018
2-[(1R)-1-aminobut-3-enyl]-4-bromoaniline
CID 130740052

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol?
The IUPAC name of 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol (CID 67147967) is 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol?
The canonical SMILES for 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol is CC(C)(N)CC(CO)c1cc(Br)ccc1N.
What is the InChIKey of 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol?
The InChIKey is ZPOMIBMRFTTZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-12(2,15)6-8(7-16)10-5-9(13)3-4-11(10)14/h3-5,8,16H,6-7,14-15H2,1-2H3.
What are the key properties of 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol?
4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-amino-5-bromophenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 67147967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).