N-[1-(3-bromophenyl)propyl]butan-2-amine

C13H20BrN — CID 43756359

IUPACN-[1-(3-bromophenyl)propyl]butan-2-amine
SMILESCCC(C)NC(CC)c1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-4-10(3)15-13(5-2)11-7-6-8-12(14)9-11/h6-10,13,15H,4-5H2,1-3H3
InChIKeyGWUNFYWFHXRDRR-UHFFFAOYSA-N
MW270.21 g/mol
LogP4.29
Rot. Bonds5

About N-[1-(3-bromophenyl)propyl]butan-2-amine

N-[1-(3-bromophenyl)propyl]butan-2-amine (PubChem CID 43756359) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)propyl]butan-2-amine
PubChem CID43756359
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-[1-(3-bromophenyl)propyl]butan-2-amine
SMILESCCC(C)NC(CC)c1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-4-10(3)15-13(5-2)11-7-6-8-12(14)9-11/h6-10,13,15H,4-5H2,1-3H3
InChIKeyGWUNFYWFHXRDRR-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromophenyl)propyl]pent-4-yn-2-amine
CID 115725334
3-N-[1-(3-bromophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963370
1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43779491
N-[1-(3-bromophenyl)propyl]but-3-yn-2-amine
CID 114415261
3-[1-(3-bromophenyl)propylamino]-2-methylbutan-1-ol
CID 113262006
1-(3-bromophenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81363349
1-(4-bromophenyl)-N-[1-(3-bromophenyl)ethyl]propan-1-amine
CID 43673216
1-(3-bromophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 81351033
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)propyl]butan-2-amine?
The IUPAC name of N-[1-(3-bromophenyl)propyl]butan-2-amine (CID 43756359) is N-[1-(3-bromophenyl)propyl]butan-2-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)propyl]butan-2-amine?
The canonical SMILES for N-[1-(3-bromophenyl)propyl]butan-2-amine is CCC(C)NC(CC)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)propyl]butan-2-amine?
The InChIKey is GWUNFYWFHXRDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-10(3)15-13(5-2)11-7-6-8-12(14)9-11/h6-10,13,15H,4-5H2,1-3H3.
What are the key properties of N-[1-(3-bromophenyl)propyl]butan-2-amine?
N-[1-(3-bromophenyl)propyl]butan-2-amine has a molecular weight of 270.21 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)propyl]butan-2-amine is sourced from PubChem (CID 43756359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).