N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine

C17H20BrNO — CID 81383584

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
SMILESC[C@@H](NCCCOc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c1-14(16-10-5-6-11-17(16)18)19-12-7-13-20-15-8-3-2-4-9-15/h2-6,8-11,14,19H,7,12-13H2,1H3/t14-/m1/s1
InChIKeySHVZQMJLMCTGNS-CQSZACIVSA-N
MW334.26 g/mol
LogP4.57
Rot. Bonds7

About N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine (PubChem CID 81383584) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
PubChem CID81383584
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
SMILESC[C@@H](NCCCOc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c1-14(16-10-5-6-11-17(16)18)19-12-7-13-20-15-8-3-2-4-9-15/h2-6,8-11,14,19H,7,12-13H2,1H3/t14-/m1/s1
InChIKeySHVZQMJLMCTGNS-CQSZACIVSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-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-[1-(2,4-dibromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 63478861
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
CID 43103321
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
CID 63490336
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-chlorophenyl)ethanamine
CID 81379643
(1R)-N-[2-(4-bromophenoxy)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81390396
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
N-[2-[1-(2-phenoxyethylamino)ethyl]phenyl]methanesulfonamide
CID 75444196
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine (CID 81383584) is N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine is C[C@@H](NCCCOc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine?
The InChIKey is SHVZQMJLMCTGNS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-14(16-10-5-6-11-17(16)18)19-12-7-13-20-15-8-3-2-4-9-15/h2-6,8-11,14,19H,7,12-13H2,1H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine is sourced from PubChem (CID 81383584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).