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

C12H18BrNO — CID 28673434

IUPACN-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-10(14-7-4-8-15-2)11-5-3-6-12(13)9-11/h3,5-6,9-10,14H,4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyCJABCASLINXDCP-SNVBAGLBSA-N
MW272.19 g/mol
LogP3.14
Rot. Bonds6

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

N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine (PubChem CID 28673434) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
PubChem CID28673434
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC NameN-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO/c1-10(14-7-4-8-15-2)11-5-3-6-12(13)9-11/h3,5-6,9-10,14H,4,7-8H2,1-2H3/t10-/m1/s1
InChIKeyCJABCASLINXDCP-SNVBAGLBSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(3-bromophenyl)ethyl]-4-methoxybutan-1-amine
CID 104647522
1-(3-bromophenyl)-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 103178663
(1R)-1-(3-bromophenyl)-N-[2-(2-methoxyethoxy)ethyl]ethanamine
CID 81382702
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
N-[1-(3-bromophenyl)ethyl]butan-1-amine
CID 43192396
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
2-(3-bromophenyl)-2-(3-methoxypropylamino)acetonitrile
CID 52983623
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115667940
(1S)-1-(3-bromophenyl)-N-(2-phenoxyethyl)ethanamine
CID 81381212
4-[1-(3-bromophenyl)ethylamino]butanenitrile
CID 61021299
2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 60744778
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine (CID 28673434) is N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine is COCCCN[C@H](C)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is CJABCASLINXDCP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-10(14-7-4-8-15-2)11-5-3-6-12(13)9-11/h3,5-6,9-10,14H,4,7-8H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine?
N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 272.19 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromophenyl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 28673434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).