N-[1-(3-bromophenyl)ethyl]hexan-3-amine

C14H22BrN — CID 63477251

IUPACN-[1-(3-bromophenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-4-7-14(5-2)16-11(3)12-8-6-9-13(15)10-12/h6,8-11,14,16H,4-5,7H2,1-3H3
InChIKeyPYAHVDLNZUKFIB-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.68
Rot. Bonds6

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

N-[1-(3-bromophenyl)ethyl]hexan-3-amine (PubChem CID 63477251) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]hexan-3-amine
PubChem CID63477251
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC NameN-[1-(3-bromophenyl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1cccc(Br)c1
InChIInChI=1S/C14H22BrN/c1-4-7-14(5-2)16-11(3)12-8-6-9-13(15)10-12/h6,8-11,14,16H,4-5,7H2,1-3H3
InChIKeyPYAHVDLNZUKFIB-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]heptan-3-amine
CID 81382746
(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-[1-(3-methylphenyl)ethyl]hexan-3-amine
CID 62119474
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564
N-[1-(3-bromophenyl)ethyl]octan-2-amine
CID 43673255
N-[(1R)-1-(3-bromophenyl)ethyl]-5-methylhexan-2-amine
CID 81371675
2-[[(1S)-1-(3-bromophenyl)ethyl]amino]pentanoic acid
CID 83041861
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dimethylpentan-3-amine
CID 112743237
N-[1-(3-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 43673292

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]hexan-3-amine (CID 63477251) is N-[1-(3-bromophenyl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]hexan-3-amine is CCCC(CC)NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]hexan-3-amine?
The InChIKey is PYAHVDLNZUKFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-7-14(5-2)16-11(3)12-8-6-9-13(15)10-12/h6,8-11,14,16H,4-5,7H2,1-3H3.
What are the key properties of N-[1-(3-bromophenyl)ethyl]hexan-3-amine?
N-[1-(3-bromophenyl)ethyl]hexan-3-amine has a molecular weight of 284.24 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]hexan-3-amine is sourced from PubChem (CID 63477251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).