5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine

C15H24ClNO — CID 65304123

IUPAC5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNCCC(C)CCc1ccc(OC)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-17-10-9-12(2)5-6-13-7-8-14(18-3)11-15(13)16/h7-8,11-12,17H,4-6,9-10H2,1-3H3
InChIKeyJDKHZSHNTCLWNF-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.92
Rot. Bonds8

About 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine

5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine (PubChem CID 65304123) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine
PubChem CID65304123
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNCCC(C)CCc1ccc(OC)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-4-17-10-9-12(2)5-6-13-7-8-14(18-3)11-15(13)16/h7-8,11-12,17H,4-6,9-10H2,1-3H3
InChIKeyJDKHZSHNTCLWNF-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.92
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

5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304513
5-(2,4-dichlorophenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 65303796
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366
4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303527
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
2-[[2-(2-chloro-4-methoxyphenyl)ethylamino]methyl]butanenitrile
CID 115254045
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 110789776
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine (CID 65304123) is 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine is CCNCCC(C)CCc1ccc(OC)cc1Cl.
What is the InChIKey of 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine?
The InChIKey is JDKHZSHNTCLWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-17-10-9-12(2)5-6-13-7-8-14(18-3)11-15(13)16/h7-8,11-12,17H,4-6,9-10H2,1-3H3.
What are the key properties of 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine?
5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 65304123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).