N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine

C17H28BrN — CID 81359555

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
SMILESCCCCCCCCCN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrN/c1-3-4-5-6-7-8-9-14-19-15(2)16-10-12-17(18)13-11-16/h10-13,15,19H,3-9,14H2,1-2H3/t15-/m1/s1
InChIKeyLSZPNWQDBLGWHQ-OAHLLOKOSA-N
MW326.32 g/mol
LogP5.85
Rot. Bonds10

About N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine

N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine (PubChem CID 81359555) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
PubChem CID81359555
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
SMILESCCCCCCCCCN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrN/c1-3-4-5-6-7-8-9-14-19-15(2)16-10-12-17(18)13-11-16/h10-13,15,19H,3-9,14H2,1-2H3/t15-/m1/s1
InChIKeyLSZPNWQDBLGWHQ-OAHLLOKOSA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.85
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

5-[[(1S)-1-(4-bromophenyl)ethyl]amino]pentan-1-ol
CID 81360207
N-[1-(4-methylphenyl)ethyl]octan-1-amine
CID 5158361
N-[1-(4-methylphenyl)ethyl]nonan-1-amine
CID 63491901
N-[1-(4-iodophenyl)ethyl]hexan-1-amine
CID 43769665
N-[1-(4-bromophenyl)ethyl]-5-methylhexan-1-amine
CID 113287271
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
N-[(1S)-1-(4-bromophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 104863351
N-[1-(4-bromophenyl)ethyl]hex-5-yn-1-amine
CID 115693970
N-[1-(4-ethenylphenyl)ethyl]octadecan-1-amine
CID 20554605

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine (CID 81359555) is N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine is CCCCCCCCCN[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine?
The InChIKey is LSZPNWQDBLGWHQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28BrN/c1-3-4-5-6-7-8-9-14-19-15(2)16-10-12-17(18)13-11-16/h10-13,15,19H,3-9,14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine?
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine has a molecular weight of 326.32 g/mol, XLogP of 5.85, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine is sourced from PubChem (CID 81359555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).