(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine

C17H20ClNO — CID 81323781

IUPAC(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-12-9-15(11-16(18)10-12)17(19)14-5-3-13(4-6-14)7-8-20-2/h3-6,9-11,17H,7-8,19H2,1-2H3
InChIKeyWIMMCLVRMLPGHI-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.89
Rot. Bonds5

About (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine

(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine (PubChem CID 81323781) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
PubChem CID81323781
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
SMILESCOCCc1ccc(C(N)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO/c1-12-9-15(11-16(18)10-12)17(19)14-5-3-13(4-6-14)7-8-20-2/h3-6,9-11,17H,7-8,19H2,1-2H3
InChIKeyWIMMCLVRMLPGHI-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-3-chloro-5-methylbenzene
CID 81324802
1-(3-chloro-5-methylphenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 81315879
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378
(4-fluorophenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198335
1,3-benzodioxol-5-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198322
(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 55136672
1-(3-chloro-5-methylphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044778
2-[chloro-[4-(2-methoxyethyl)phenyl]methyl]-1,3,5-trimethylbenzene
CID 63429785
(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine
CID 115481933
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
CID 105051625
(4-chlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 55133393
[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methanamine
CID 79803069

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine?
The IUPAC name of (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine (CID 81323781) is (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine.
What is the SMILES notation for (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine?
The canonical SMILES for (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine is COCCc1ccc(C(N)c2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine?
The InChIKey is WIMMCLVRMLPGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-9-15(11-16(18)10-12)17(19)14-5-3-13(4-6-14)7-8-20-2/h3-6,9-11,17H,7-8,19H2,1-2H3.
What are the key properties of (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine?
(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine has a molecular weight of 289.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine is sourced from PubChem (CID 81323781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).