N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine

C15H24BrN — CID 112743237

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine
SMILESCC(C)C(N[C@H](C)c1cccc(Br)c1)C(C)C
InChIInChI=1S/C15H24BrN/c1-10(2)15(11(3)4)17-12(5)13-7-6-8-14(16)9-13/h6-12,15,17H,1-5H3/t12-/m1/s1
InChIKeyDZXRKDZMVVVASR-GFCCVEGCSA-N
MW298.27 g/mol
LogP4.78
Rot. Bonds5

About N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine

N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine (PubChem CID 112743237) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine
PubChem CID112743237
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine
SMILESCC(C)C(N[C@H](C)c1cccc(Br)c1)C(C)C
InChIInChI=1S/C15H24BrN/c1-10(2)15(11(3)4)17-12(5)13-7-6-8-14(16)9-13/h6-12,15,17H,1-5H3/t12-/m1/s1
InChIKeyDZXRKDZMVVVASR-GFCCVEGCSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81381061
N-[(1R)-1-(3-bromophenyl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 81382148
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
N-[1-(3-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 115708263
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752
(1S)-N-[(1R)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318714
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 81381272
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 93318712
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 81382664
N-[(1S)-1-(3-bromophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 81382071
N-[1-(3-bromophenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 61166809

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine (CID 112743237) is N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine is CC(C)C(N[C@H](C)c1cccc(Br)c1)C(C)C.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine?
The InChIKey is DZXRKDZMVVVASR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24BrN/c1-10(2)15(11(3)4)17-12(5)13-7-6-8-14(16)9-13/h6-12,15,17H,1-5H3/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine?
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine has a molecular weight of 298.27 g/mol, XLogP of 4.78, 5 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]-2,4-dimethylpentan-3-amine is sourced from PubChem (CID 112743237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).