N-[1-(4-bromophenyl)ethyl]nonan-2-amine

C17H28BrN — CID 63454622

IUPACN-[1-(4-bromophenyl)ethyl]nonan-2-amine
SMILESCCCCCCCC(C)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrN/c1-4-5-6-7-8-9-14(2)19-15(3)16-10-12-17(18)13-11-16/h10-15,19H,4-9H2,1-3H3
InChIKeyKZOPRTCHRLFEAA-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.85
Rot. Bonds9

About N-[1-(4-bromophenyl)ethyl]nonan-2-amine

N-[1-(4-bromophenyl)ethyl]nonan-2-amine (PubChem CID 63454622) has the molecular formula C17H28BrN and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]nonan-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]nonan-2-amine
PubChem CID63454622
Molecular FormulaC17H28BrN
Molecular Weight326.32 g/mol
Exact Mass325.14
IUPAC NameN-[1-(4-bromophenyl)ethyl]nonan-2-amine
SMILESCCCCCCCC(C)NC(C)c1ccc(Br)cc1
InChIInChI=1S/C17H28BrN/c1-4-5-6-7-8-9-14(2)19-15(3)16-10-12-17(18)13-11-16/h10-15,19H,4-9H2,1-3H3
InChIKeyKZOPRTCHRLFEAA-UHFFFAOYSA-N
XLogP5.85
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 ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(4-bromophenyl)ethyl]nonan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]octan-2-amine
CID 81356110
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-2-amine
CID 81352202
4-[1-(heptan-2-ylamino)ethyl]phenol
CID 43572743
N-[1-(3-bromophenyl)ethyl]octan-2-amine
CID 43673255
N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555
N-(1-phenylethyl)hexan-2-amine
CID 43755937
(2S)-N-[(1S)-1-(1H-pyrazol-4-yl)ethyl]octan-2-amine
CID 124672844
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]heptan-2-amine
CID 43572679
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
(1S)-1-(4-bromophenyl)octan-1-ol
CID 124554353
N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]nonan-2-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]nonan-2-amine (CID 63454622) is N-[1-(4-bromophenyl)ethyl]nonan-2-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]nonan-2-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]nonan-2-amine is CCCCCCCC(C)NC(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]nonan-2-amine?
The InChIKey is KZOPRTCHRLFEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN/c1-4-5-6-7-8-9-14(2)19-15(3)16-10-12-17(18)13-11-16/h10-15,19H,4-9H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]nonan-2-amine?
N-[1-(4-bromophenyl)ethyl]nonan-2-amine has a molecular weight of 326.32 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]nonan-2-amine is sourced from PubChem (CID 63454622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).