4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine

C15H24ClNO3 — CID 65305744

IUPAC4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C15H24ClNO3/c1-18-9-8-17-7-5-4-6-12-10-14(19-2)15(20-3)11-13(12)16/h10-11,17H,4-9H2,1-3H3
InChIKeyUUUAPPVRTIWPFM-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.92
Rot. Bonds10

About 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine

4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 65305744) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID65305744
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCc1cc(OC)c(OC)cc1Cl
InChIInChI=1S/C15H24ClNO3/c1-18-9-8-17-7-5-4-6-12-10-14(19-2)15(20-3)11-13(12)16/h10-11,17H,4-9H2,1-3H3
InChIKeyUUUAPPVRTIWPFM-UHFFFAOYSA-N
XLogP2.92
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
N-[2-[2-(2-chloro-4,5-dimethoxyphenyl)ethoxy]ethyl]-2-methoxyethanamine
CID 65303519
4-(2-chloro-4,5-dimethoxyphenyl)-N-ethylbutan-1-amine
CID 65305689
4-(2,5-dichlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302872
4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883
5-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65432429
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 66530902
5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 79593271
4-(5-bromo-4-chlorothiophen-2-yl)-N-(2-methoxyethyl)butan-1-amine
CID 80532664
N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine (CID 65305744) is 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCc1cc(OC)c(OC)cc1Cl.
What is the InChIKey of 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is UUUAPPVRTIWPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-18-9-8-17-7-5-4-6-12-10-14(19-2)15(20-3)11-13(12)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine?
4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 301.81 g/mol, XLogP of 2.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,5-dimethoxyphenyl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 65305744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).