N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine

C14H22BrNO — CID 130537232

IUPACN-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine
SMILESCC(C)N(CCBr)CCOCc1ccccc1
InChIInChI=1S/C14H22BrNO/c1-13(2)16(9-8-15)10-11-17-12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyRYKHDHNGPDKNPD-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.31
Rot. Bonds8

About N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine

N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine (PubChem CID 130537232) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine
PubChem CID130537232
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine
SMILESCC(C)N(CCBr)CCOCc1ccccc1
InChIInChI=1S/C14H22BrNO/c1-13(2)16(9-8-15)10-11-17-12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
InChIKeyRYKHDHNGPDKNPD-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-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

2-[2-phenylmethoxyethyl(propan-2-yl)amino]ethanol
CID 130537128
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N-(2-bromoethyl)-N-[2-(2-methylpropoxy)ethyl]propan-2-amine
CID 106457728
N-[2-(2-aminoethoxy)ethyl]-N-benzylpropan-2-amine
CID 79479672
ethane;phenylmethoxymethylbenzene
CID 90943549
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
15-bromopentadecoxymethylbenzene
CID 11338468
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
3-N-methyl-3-N-(2-phenylmethoxyethyl)butane-1,3-diamine
CID 130536772

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine (CID 130537232) is N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine is CC(C)N(CCBr)CCOCc1ccccc1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine?
The InChIKey is RYKHDHNGPDKNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-13(2)16(9-8-15)10-11-17-12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine?
N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-phenylmethoxyethyl)propan-2-amine is sourced from PubChem (CID 130537232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).