4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine

C15H23BrClNO — CID 63498772

IUPAC4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C15H23BrClNO/c1-11(2)10-18-8-4-5-12(3)19-15-7-6-13(16)9-14(15)17/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyDHVDNBUNCUCJFM-UHFFFAOYSA-N
MW348.71 g/mol
LogP4.90
Rot. Bonds8

About 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine

4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 63498772) has the molecular formula C15H23BrClNO and a molecular weight of 348.71 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID63498772
Molecular FormulaC15H23BrClNO
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C15H23BrClNO/c1-11(2)10-18-8-4-5-12(3)19-15-7-6-13(16)9-14(15)17/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyDHVDNBUNCUCJFM-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.90
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

4-(2-chloro-4-fluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 62451733
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
4-(2-chloro-4-fluorophenoxy)-N-ethylpentan-1-amine
CID 55078163
4-(4-bromo-2-chlorophenoxy)pentanehydrazide
CID 63574538
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
N-[2-(2,4-dibromophenoxy)propyl]-2-methylpropan-1-amine
CID 63516536
3-(4-bromo-2-chlorophenoxy)butanoic acid
CID 43536124
(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol
CID 7375680
4-(4-bromo-2-chloro-5-fluorophenoxy)-N-ethylpentan-1-amine
CID 114270959
6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308860
N-[2-(4-bromo-2-chlorophenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62599602
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63496647

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine (CID 63498772) is 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCC(C)Oc1ccc(Br)cc1Cl.
What is the InChIKey of 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is DHVDNBUNCUCJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNO/c1-11(2)10-18-8-4-5-12(3)19-15-7-6-13(16)9-14(15)17/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3.
What are the key properties of 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 348.71 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenoxy)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 63498772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).