4-(4-bromophenoxy)butan-1-amine

C10H14BrNO — CID 43531088

IUPAC4-(4-bromophenoxy)butan-1-amine
SMILESNCCCCOc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2
InChIKeyWCTVWJMQGCYIIV-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.57
Rot. Bonds5

About 4-(4-bromophenoxy)butan-1-amine

4-(4-bromophenoxy)butan-1-amine (PubChem CID 43531088) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 4-(4-bromophenoxy)butan-1-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)butan-1-amine
PubChem CID43531088
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name4-(4-bromophenoxy)butan-1-amine
SMILESNCCCCOc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2
InChIKeyWCTVWJMQGCYIIV-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.57
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

2-Phenoxyethanamine
CID 15651
4-Bromophenetole
CID 68523
(3-Phenoxypropyl)amine
CID 418237
2-Bromoethyl p-bromophenyl ether
CID 87797
4-Butoxybromobenzene
CID 142395
1-Bromo-4-(propan-2-yloxy)benzene
CID 228088
(4-Bromophenoxy)acetonitrile
CID 598823
1-[4-(4-Bromophenoxy)butyl]piperidine
CID 2057710
2-(4-bromophenoxy)-N,N-diethylethanamine
CID 423953
4-(4-Fluorophenoxy)butan-1-amine
CID 7131478
(2-(4-Bromophenoxy)ethyl)dimethylamine
CID 213877
1-Bromo-4-propoxybenzene
CID 2734198

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)butan-1-amine?
The IUPAC name of 4-(4-bromophenoxy)butan-1-amine (CID 43531088) is 4-(4-bromophenoxy)butan-1-amine.
What is the SMILES notation for 4-(4-bromophenoxy)butan-1-amine?
The canonical SMILES for 4-(4-bromophenoxy)butan-1-amine is NCCCCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)butan-1-amine?
The InChIKey is WCTVWJMQGCYIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,7-8,12H2.
What are the key properties of 4-(4-bromophenoxy)butan-1-amine?
4-(4-bromophenoxy)butan-1-amine has a molecular weight of 244.13 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)butan-1-amine is sourced from PubChem (CID 43531088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).