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

C17H18ClNO — CID 105051931

IUPAC(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2cccc(OC3CC3)c2)c1
InChIInChI=1S/C17H18ClNO/c1-11-7-13(9-14(18)8-11)17(19)12-3-2-4-16(10-12)20-15-5-6-15/h2-4,7-10,15,17H,5-6,19H2,1H3
InChIKeyLOYZBYPCIIGXSN-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.24
Rot. Bonds4

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

(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine (PubChem CID 105051931) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
PubChem CID105051931
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2cccc(OC3CC3)c2)c1
InChIInChI=1S/C17H18ClNO/c1-11-7-13(9-14(18)8-11)17(19)12-3-2-4-16(10-12)20-15-5-6-15/h2-4,7-10,15,17H,5-6,19H2,1H3
InChIKeyLOYZBYPCIIGXSN-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)-(4-cyclopropyloxyphenyl)methanamine
CID 105051625
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanamine
CID 114521611
(3-cyclopropyloxyphenyl)-(3,4-difluorophenyl)methanamine
CID 114521500
(3-chloro-4-iodophenyl)-(3-cyclopropyloxyphenyl)methanamine
CID 103216448
(3-cyclopropyloxyphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105051741
(3-chloro-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 115838406
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
(3-chloro-5-fluorophenyl)-(3-cyclopropyloxyphenyl)methanol
CID 114521051
1-(3-cyclopropyloxyphenyl)-2-methylsulfanylethanamine
CID 114521659
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
(4-bromothiophen-2-yl)-(3-cyclopropyloxyphenyl)methanamine
CID 114521727
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine?
The IUPAC name of (3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine (CID 105051931) is (3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine?
The canonical SMILES for (3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine is Cc1cc(Cl)cc(C(N)c2cccc(OC3CC3)c2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine?
The InChIKey is LOYZBYPCIIGXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11-7-13(9-14(18)8-11)17(19)12-3-2-4-16(10-12)20-15-5-6-15/h2-4,7-10,15,17H,5-6,19H2,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-(3-cyclopropyloxyphenyl)methanamine?
(3-chloro-5-methylphenyl)-(3-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)-(3-cyclopropyloxyphenyl)methanamine is sourced from PubChem (CID 105051931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).