N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine

C15H24BrN — CID 81382746

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
SMILESCCCCC(CC)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-4-6-10-15(5-2)17-12(3)13-8-7-9-14(16)11-13/h7-9,11-12,15,17H,4-6,10H2,1-3H3/t12-,15?/m1/s1
InChIKeyOFLQWYNIURGDPX-KEKZHRQWSA-N
MW298.27 g/mol
LogP5.07
Rot. Bonds7

About N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine

N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine (PubChem CID 81382746) has the molecular formula C15H24BrN and a molecular weight of 298.27 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
PubChem CID81382746
Molecular FormulaC15H24BrN
Molecular Weight298.27 g/mol
Exact Mass297.11
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
SMILESCCCCC(CC)N[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C15H24BrN/c1-4-6-10-15(5-2)17-12(3)13-8-7-9-14(16)11-13/h7-9,11-12,15,17H,4-6,10H2,1-3H3/t12-,15?/m1/s1
InChIKeyOFLQWYNIURGDPX-KEKZHRQWSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.27
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251
N-[1-(3-bromophenyl)ethyl]octan-2-amine
CID 43673255
(2S)-2-[1-(3-bromophenyl)ethylamino]butan-1-ol
CID 104980716
(2R)-2-[[(1S)-1-(3-bromophenyl)ethyl]amino]butan-1-ol
CID 28723457
N-[(1R)-1-(3-methoxyphenyl)ethyl]heptan-3-amine
CID 81376287
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
N-[1-(3-methylphenyl)ethyl]hexan-3-amine
CID 62119474
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
CID 81352954
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]pentanoic acid
CID 83041861

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine (CID 81382746) is N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine is CCCCC(CC)N[C@H](C)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine?
The InChIKey is OFLQWYNIURGDPX-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H24BrN/c1-4-6-10-15(5-2)17-12(3)13-8-7-9-14(16)11-13/h7-9,11-12,15,17H,4-6,10H2,1-3H3/t12-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine?
N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine has a molecular weight of 298.27 g/mol, XLogP of 5.07, 7 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]heptan-3-amine is sourced from PubChem (CID 81382746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).