1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine

C14H22BrN — CID 117457500

IUPAC1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
SMILESCCC(CC)c1ccc(CC(C)N)cc1Br
InChIInChI=1S/C14H22BrN/c1-4-12(5-2)13-7-6-11(8-10(3)16)9-14(13)15/h6-7,9-10,12H,4-5,8,16H2,1-3H3
InChIKeyZZQIXRRQFSOLFT-UHFFFAOYSA-N
MW284.24 g/mol
LogP4.24
Rot. Bonds5

About 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine

1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine (PubChem CID 117457500) has the molecular formula C14H22BrN and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
PubChem CID117457500
Molecular FormulaC14H22BrN
Molecular Weight284.24 g/mol
Exact Mass283.09
IUPAC Name1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
SMILESCCC(CC)c1ccc(CC(C)N)cc1Br
InChIInChI=1S/C14H22BrN/c1-4-12(5-2)13-7-6-11(8-10(3)16)9-14(13)15/h6-7,9-10,12H,4-5,8,16H2,1-3H3
InChIKeyZZQIXRRQFSOLFT-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-bromo-4-methylphenyl)propan-2-amine
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1-(3-bromo-4-pentan-3-ylphenyl)-N-methoxymethanamine
CID 117461462
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
1-(4-butan-2-yl-3-chlorophenyl)propan-2-amine
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1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol
CID 21121270
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
N'-[4-(2-aminopropyl)-2-bromophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114063003
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012
2-(3-bromo-4-pentan-3-ylphenyl)propan-2-ol
CID 117459199

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine?
The IUPAC name of 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine (CID 117457500) is 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine is CCC(CC)c1ccc(CC(C)N)cc1Br.
What is the InChIKey of 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine?
The InChIKey is ZZQIXRRQFSOLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN/c1-4-12(5-2)13-7-6-11(8-10(3)16)9-14(13)15/h6-7,9-10,12H,4-5,8,16H2,1-3H3.
What are the key properties of 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine?
1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine has a molecular weight of 284.24 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine is sourced from PubChem (CID 117457500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).