(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine

C16H18ClNO — CID 105022224

IUPAC(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-3-19-14-6-4-5-12(9-14)16(18)13-8-7-11(2)15(17)10-13/h4-10,16H,3,18H2,1-2H3
InChIKeyIJEPPIHOUVPVND-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.10
Rot. Bonds4

About (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine

(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine (PubChem CID 105022224) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
PubChem CID105022224
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C16H18ClNO/c1-3-19-14-6-4-5-12(9-14)16(18)13-8-7-11(2)15(17)10-13/h4-10,16H,3,18H2,1-2H3
InChIKeyIJEPPIHOUVPVND-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 107513083
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63975299
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105035816
[(3-chloro-2-methylphenyl)-(3-ethoxyphenyl)methyl]hydrazine
CID 107103783

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine (CID 105022224) is (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine is CCOc1cccc(C(N)c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine?
The InChIKey is IJEPPIHOUVPVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-19-14-6-4-5-12(9-14)16(18)13-8-7-11(2)15(17)10-13/h4-10,16H,3,18H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine?
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine has a molecular weight of 275.78 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine is sourced from PubChem (CID 105022224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).