4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine

C15H24ClNO — CID 65303527

IUPAC4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(CCCCNCC(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-12(2)11-17-9-5-4-6-13-7-8-14(18-3)10-15(13)16/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyKKZMAAPTTJKZEY-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.92
Rot. Bonds8

About 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine

4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 65303527) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
PubChem CID65303527
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(CCCCNCC(C)C)c(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-12(2)11-17-9-5-4-6-13-7-8-14(18-3)10-15(13)16/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyKKZMAAPTTJKZEY-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

4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65326200
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366
4-[2-(2-chloro-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217795
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409
3-[(2-chloro-4-methoxyphenyl)methylamino]propane-1-thiol
CID 115224893
N-[3-(2-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 62531246
5-(2-chloro-4-methoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304123
2-[[2-(2-chloro-4-methoxyphenyl)ethylamino]methyl]butanenitrile
CID 115254045
3-[(2-chloro-4-methoxyphenyl)methylamino]propan-1-ol
CID 115216842
4-(5-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114866777
N-[3-(3,4-dichlorophenoxy)propyl]-2-methylpropan-1-amine
CID 62484864

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine (CID 65303527) is 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine is COc1ccc(CCCCNCC(C)C)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is KKZMAAPTTJKZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12(2)11-17-9-5-4-6-13-7-8-14(18-3)10-15(13)16/h7-8,10,12,17H,4-6,9,11H2,1-3H3.
What are the key properties of 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-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 4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 65303527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).