(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine

C16H15Cl2NO — CID 105051389

IUPAC(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-11-3-8-14(15(18)9-11)16(19)10-1-4-12(5-2-10)20-13-6-7-13/h1-5,8-9,13,16H,6-7,19H2
InChIKeyWMWBJHPPHAPQFO-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.58
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine

(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine (PubChem CID 105051389) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine
PubChem CID105051389
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO/c17-11-3-8-14(15(18)9-11)16(19)10-1-4-12(5-2-10)20-13-6-7-13/h1-5,8-9,13,16H,6-7,19H2
InChIKeyWMWBJHPPHAPQFO-UHFFFAOYSA-N
XLogP4.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-(4-cyclopropyloxyphenyl)phenyl]ethanamine
CID 114519957
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanamine
CID 105051625
(4-cyclopropyloxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105051381
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(3-chloro-4-fluorophenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518680
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(R)-cyclopropyl-(2,4-dichlorophenyl)methanamine;hydrochloride
CID 171212549
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine?
The IUPAC name of (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine (CID 105051389) is (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine is NC(c1ccc(OC2CC2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine?
The InChIKey is WMWBJHPPHAPQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c17-11-3-8-14(15(18)9-11)16(19)10-1-4-12(5-2-10)20-13-6-7-13/h1-5,8-9,13,16H,6-7,19H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine?
(4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine has a molecular weight of 308.21 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 105051389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).