(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine

C16H18ClNO3 — CID 115811290

IUPAC(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H18ClNO3/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)10-5-4-6-11(17)7-10/h4-9,16H,18H2,1-3H3
InChIKeyCHJVDQGSQNKCSN-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.41
Rot. Bonds5

About (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine

(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine (PubChem CID 115811290) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
PubChem CID115811290
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C16H18ClNO3/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)10-5-4-6-11(17)7-10/h4-9,16H,18H2,1-3H3
InChIKeyCHJVDQGSQNKCSN-UHFFFAOYSA-N
XLogP3.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808205
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
3-[amino-(5-chloro-2-methoxyphenyl)methyl]-N,N-dimethylaniline
CID 105140930
(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine
CID 105018869
(4-methylphenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 43121496
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
1-(3-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 43626747
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(5-chloro-2-iodophenyl)-(3-chlorophenyl)methanamine
CID 114030061
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine (CID 115811290) is (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine is COc1cc(OC)c(C(N)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine?
The InChIKey is CHJVDQGSQNKCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-19-13-9-15(21-3)14(20-2)8-12(13)16(18)10-5-4-6-11(17)7-10/h4-9,16H,18H2,1-3H3.
What are the key properties of (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine?
(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine has a molecular weight of 307.78 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 115811290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).