N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine

C17H28BrN — CID 43103321

IUPACN-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNC(C)c1ccccc1Br
InChIInChI=1S/C17H28BrN/c1-14(2)10-6-4-5-9-13-19-15(3)16-11-7-8-12-17(16)18/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3
InChIKeyYIWABJRUYZIHHR-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.71
Rot. Bonds9

About N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine

N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine (PubChem CID 43103321) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
PubChem CID43103321
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC NameN-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNC(C)c1ccccc1Br
InChIInChI=1S/C17H28BrN/c1-14(2)10-6-4-5-9-13-19-15(3)16-11-7-8-12-17(16)18/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3
InChIKeyYIWABJRUYZIHHR-UHFFFAOYSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
3-[1-(2-bromophenyl)ethylamino]-N-methylpropane-1-sulfonamide
CID 75442618
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 81383584
N-[1-(4-bromo-2-chlorophenyl)ethyl]-7-methyloctan-1-amine
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N-[1-(5-bromo-2-fluorophenyl)ethyl]-7-methyloctan-1-amine
CID 82962730
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
N-[(1R)-1-(2-bromophenyl)ethyl]but-3-yn-1-amine
CID 81383342
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 104926848
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-[5-[[(1R)-1-(2-bromophenyl)ethyl]amino]pentyl]pyrimidine-2,4-dione
CID 135219931

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine (CID 43103321) is N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine is CC(C)CCCCCCNC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine?
The InChIKey is YIWABJRUYZIHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-14(2)10-6-4-5-9-13-19-15(3)16-11-7-8-12-17(16)18/h7-8,11-12,14-15,19H,4-6,9-10,13H2,1-3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine?
N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine has a molecular weight of 326.32 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine is sourced from PubChem (CID 43103321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).