(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine

C17H18ClNO — CID 105051625

IUPAC(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C17H18ClNO/c1-11-8-13(10-14(18)9-11)17(19)12-2-4-15(5-3-12)20-16-6-7-16/h2-5,8-10,16-17H,6-7,19H2,1H3
InChIKeyXTRGDFKQHTWNEO-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.24
Rot. Bonds4

About (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine

(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine (PubChem CID 105051625) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
PubChem CID105051625
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2ccc(OC3CC3)cc2)c1
InChIInChI=1S/C17H18ClNO/c1-11-8-13(10-14(18)9-11)17(19)12-2-4-15(5-3-12)20-16-6-7-16/h2-5,8-10,16-17H,6-7,19H2,1H3
InChIKeyXTRGDFKQHTWNEO-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 105051931
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 115838406
(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 105051389
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105051381
(3-chloro-5-methylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 81323781
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
(3-chloro-5-methylphenyl)-(3,4-diethylphenyl)methanamine
CID 115481933
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(3-chloro-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81323717
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine?
The IUPAC name of (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine (CID 105051625) is (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine?
The canonical SMILES for (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine is Cc1cc(Cl)cc(C(N)c2ccc(OC3CC3)cc2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine?
The InChIKey is XTRGDFKQHTWNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11-8-13(10-14(18)9-11)17(19)12-2-4-15(5-3-12)20-16-6-7-16/h2-5,8-10,16-17H,6-7,19H2,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine?
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine has a molecular weight of 287.79 g/mol, XLogP of 4.24, 4 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-cyclopropyloxyphenyl)methanamine is sourced from PubChem (CID 105051625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).