N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine

C14H21Cl2NO — CID 2248800

IUPACN-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
SMILESCCCCNCCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2NO/c1-2-3-9-17-10-4-5-11-18-13-8-6-7-12(15)14(13)16/h6-8,17H,2-5,9-11H2,1H3
InChIKeyDUXBKQSNPPJHOI-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.54
Rot. Bonds9

About N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine

N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine (PubChem CID 2248800) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine.

Molecular Properties

Compound NameN-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
PubChem CID2248800
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC NameN-butyl-4-(2,3-dichlorophenoxy)butan-1-amine
SMILESCCCCNCCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2NO/c1-2-3-9-17-10-4-5-11-18-13-8-6-7-12(15)14(13)16/h6-8,17H,2-5,9-11H2,1H3
InChIKeyDUXBKQSNPPJHOI-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.54
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-[3-(2,3-dichlorophenoxy)propyl]butan-1-amine
CID 2248430
5-(2,3-dichlorophenoxy)-N-ethylpentan-1-amine
CID 55077390
N-butyl-5-(2-chlorophenoxy)pentan-1-amine
CID 2247459
2-[3-(2,3-dichlorophenoxy)propylamino]ethanol chloride
CID 71297106
N-butyl-4-naphthalen-1-yloxybutan-1-amine
CID 2249724
3-(2-chlorophenoxy)-N-propylpropan-1-amine
CID 29015603
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
CID 62451053
N-butyl-4-(2-propan-2-ylphenoxy)butan-1-amine
CID 2247450
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420
3-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605
1,2,3-trichloro-4-pentoxybenzene
CID 101293544
N-[2-(2,3-dichlorophenoxy)ethyl]-2,2,2-trifluoroethanamine
CID 62599216

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine?
The IUPAC name of N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine (CID 2248800) is N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine.
What is the SMILES notation for N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine?
The canonical SMILES for N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine is CCCCNCCCCOc1cccc(Cl)c1Cl.
What is the InChIKey of N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine?
The InChIKey is DUXBKQSNPPJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-2-3-9-17-10-4-5-11-18-13-8-6-7-12(15)14(13)16/h6-8,17H,2-5,9-11H2,1H3.
What are the key properties of N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine?
N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,3-dichlorophenoxy)butan-1-amine is sourced from PubChem (CID 2248800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).