N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine

C15H24BrN — CID 81371675

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-11(2)8-9-12(3)17-13(4)14-6-5-7-15(16)10-14/h5-7,10-13,17H,8-9H2,1-4H3/t12?,13-/m1/s1
InChIKeyOBASEAWXGNZWAP-ZGTCLIOFSA-N
MW298.27 g/mol
LogP4.92
Rot. Bonds6

About N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine

N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine (PubChem CID 81371675) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
PubChem CID81371675
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
SMILESCC(C)CCC(C)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-11(2)8-9-12(3)17-13(4)14-6-5-7-15(16)10-14/h5-7,10-13,17H,8-9H2,1-4H3/t12?,13-/m1/s1
InChIKeyOBASEAWXGNZWAP-ZGTCLIOFSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-bromophenyl)ethyl]octan-2-amine
CID 43673255
5-methyl-N-[(1R)-1-phenylethyl]hexan-2-amine
CID 81350765
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
N-[(1R)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81382381
N-[(1S)-1-(3-bromophenyl)ethyl]-4-(furan-2-yl)butan-2-amine
CID 81381164
N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
(2S)-N-[(1R)-1-(3-bromophenyl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 97341577
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine
CID 112743237
(3R)-3-[[(1S)-1-(3-bromophenyl)ethyl]amino]butanamide
CID 96528244
N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
CID 81382746
(2S)-2-[1-(3-bromophenyl)ethylamino]butan-1-ol
CID 104980716

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine (CID 81371675) is N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine is CC(C)CCC(C)N[C@H](C)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine?
The InChIKey is OBASEAWXGNZWAP-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H24BrN/c1-11(2)8-9-12(3)17-13(4)14-6-5-7-15(16)10-14/h5-7,10-13,17H,8-9H2,1-4H3/t12?,13-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine?
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine has a molecular weight of 298.27 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine is sourced from PubChem (CID 81371675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).