5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine

C13H20ClNO — CID 116925047

IUPAC5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine
SMILESCOc1c(C)cc(Cl)cc1CCCC(C)N
InChIInChI=1S/C13H20ClNO/c1-9-7-12(14)8-11(13(9)16-3)6-4-5-10(2)15/h7-8,10H,4-6,15H2,1-3H3
InChIKeyRYBWBBNDXUPSCB-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.33
Rot. Bonds5

About 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine

5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine (PubChem CID 116925047) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine
PubChem CID116925047
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine
SMILESCOc1c(C)cc(Cl)cc1CCCC(C)N
InChIInChI=1S/C13H20ClNO/c1-9-7-12(14)8-11(13(9)16-3)6-4-5-10(2)15/h7-8,10H,4-6,15H2,1-3H3
InChIKeyRYBWBBNDXUPSCB-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-chloro-2-methoxy-3-methylphenyl)-2-methylbutanoic acid
CID 116926918
1-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1-N-methylpropane-1,2-diamine
CID 115196670
N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 98033387
5-chloro-1-(3-isocyanatopropyl)-2-methoxy-3-methylbenzene
CID 95454529
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383
3-(5-chloro-2-methoxy-3-methylphenyl)propanenitrile
CID 82470720
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
4-(3,5-dichloro-2,4-dimethoxyphenyl)butan-2-amine
CID 83953316
2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
CID 115151633
(2S)-5-(3-chloro-2,4-difluoro-5-methylphenyl)pentan-2-amine
CID 90212930
5-chloro-1-(3-chloropropyl)-2-methoxy-3-propan-2-ylbenzene
CID 83938688

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine?
The IUPAC name of 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine (CID 116925047) is 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine.
What is the SMILES notation for 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine?
The canonical SMILES for 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine is COc1c(C)cc(Cl)cc1CCCC(C)N.
What is the InChIKey of 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine?
The InChIKey is RYBWBBNDXUPSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9-7-12(14)8-11(13(9)16-3)6-4-5-10(2)15/h7-8,10H,4-6,15H2,1-3H3.
What are the key properties of 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine?
5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxy-3-methylphenyl)pentan-2-amine is sourced from PubChem (CID 116925047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).