chloro-(5-ethyl-2-methoxyphenyl)methanamine

C10H14ClNO — CID 116947761

IUPACchloro-(5-ethyl-2-methoxyphenyl)methanamine
SMILESCCc1ccc(OC)c(C(N)Cl)c1
InChIInChI=1S/C10H14ClNO/c1-3-7-4-5-9(13-2)8(6-7)10(11)12/h4-6,10H,3,12H2,1-2H3
InChIKeyNWQSOACUFDVURQ-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.45
Rot. Bonds3

About chloro-(5-ethyl-2-methoxyphenyl)methanamine

chloro-(5-ethyl-2-methoxyphenyl)methanamine (PubChem CID 116947761) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is chloro-(5-ethyl-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Namechloro-(5-ethyl-2-methoxyphenyl)methanamine
PubChem CID116947761
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Namechloro-(5-ethyl-2-methoxyphenyl)methanamine
SMILESCCc1ccc(OC)c(C(N)Cl)c1
InChIInChI=1S/C10H14ClNO/c1-3-7-4-5-9(13-2)8(6-7)10(11)12/h4-6,10H,3,12H2,1-2H3
InChIKeyNWQSOACUFDVURQ-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948870
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
4-amino-4-(5-ethyl-2-methoxyphenyl)butanenitrile
CID 116940003
2-[amino-(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946337
2-[amino-(5-ethyl-2-methoxyphenyl)methyl]butanenitrile
CID 116946182

Frequently Asked Questions

What is the IUPAC name of chloro-(5-ethyl-2-methoxyphenyl)methanamine?
The IUPAC name of chloro-(5-ethyl-2-methoxyphenyl)methanamine (CID 116947761) is chloro-(5-ethyl-2-methoxyphenyl)methanamine.
What is the SMILES notation for chloro-(5-ethyl-2-methoxyphenyl)methanamine?
The canonical SMILES for chloro-(5-ethyl-2-methoxyphenyl)methanamine is CCc1ccc(OC)c(C(N)Cl)c1.
What is the InChIKey of chloro-(5-ethyl-2-methoxyphenyl)methanamine?
The InChIKey is NWQSOACUFDVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-7-4-5-9(13-2)8(6-7)10(11)12/h4-6,10H,3,12H2,1-2H3.
What are the key properties of chloro-(5-ethyl-2-methoxyphenyl)methanamine?
chloro-(5-ethyl-2-methoxyphenyl)methanamine has a molecular weight of 199.68 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(5-ethyl-2-methoxyphenyl)methanamine is sourced from PubChem (CID 116947761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).