5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine

C17H28ClNO — CID 104544669

IUPAC5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCOc1ccc(Cl)cc1CCC(C)CCNCC(C)C
InChIInChI=1S/C17H28ClNO/c1-13(2)12-19-10-9-14(3)5-6-15-11-16(18)7-8-17(15)20-4/h7-8,11,13-14,19H,5-6,9-10,12H2,1-4H3
InChIKeyZDRNQPUVYCXKKX-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.55
Rot. Bonds9

About 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine

5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 104544669) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID104544669
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCOc1ccc(Cl)cc1CCC(C)CCNCC(C)C
InChIInChI=1S/C17H28ClNO/c1-13(2)12-19-10-9-14(3)5-6-15-11-16(18)7-8-17(15)20-4/h7-8,11,13-14,19H,5-6,9-10,12H2,1-4H3
InChIKeyZDRNQPUVYCXKKX-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.55
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-dichlorophenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65303779
4-(5-chloro-2-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112519015
N'-[(5-chloro-2-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62592250
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
1-N-[2-(5-chloro-2-methoxyphenyl)ethyl]butane-1,3-diamine
CID 115199496
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
5-(2-chloro-4,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 115485089
5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304513
1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119
N-(2-chloroethyl)-2-(5-chloro-2-methoxyphenyl)ethanamine
CID 115215017
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
CID 64503076
5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine (CID 104544669) is 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is COc1ccc(Cl)cc1CCC(C)CCNCC(C)C.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is ZDRNQPUVYCXKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-13(2)12-19-10-9-14(3)5-6-15-11-16(18)7-8-17(15)20-4/h7-8,11,13-14,19H,5-6,9-10,12H2,1-4H3.
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine?
5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 297.87 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 104544669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).