1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol

C15H24BrNO — CID 60734300

IUPAC1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol
SMILESCCCCCC(C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-3-4-5-7-12(2)17-11-15(18)13-8-6-9-14(16)10-13/h6,8-10,12,15,17-18H,3-5,7,11H2,1-2H3
InChIKeyVNCSEVJRJVSOFB-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.04
Rot. Bonds8

About 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol

1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol (PubChem CID 60734300) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol
PubChem CID60734300
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol
SMILESCCCCCC(C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-3-4-5-7-12(2)17-11-15(18)13-8-6-9-14(16)10-13/h6,8-10,12,15,17-18H,3-5,7,11H2,1-2H3
InChIKeyVNCSEVJRJVSOFB-UHFFFAOYSA-N
XLogP4.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
CID 55050060
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974
1-(3,4-difluorophenyl)-2-(heptan-2-ylamino)ethanol
CID 60980975
N-[1-(3-bromophenyl)ethyl]octan-2-amine
CID 43673255
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butanamide
CID 115894656
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(3-bromophenyl)hexan-1-amine
CID 62602572
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)heptan-1-amine
CID 62602381

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol (CID 60734300) is 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol is CCCCCC(C)NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol?
The InChIKey is VNCSEVJRJVSOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-4-5-7-12(2)17-11-15(18)13-8-6-9-14(16)10-13/h6,8-10,12,15,17-18H,3-5,7,11H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol?
1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol has a molecular weight of 314.27 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol is sourced from PubChem (CID 60734300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).