(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine

C17H20ClNO — CID 105018279

IUPAC(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCc1cccc(C(N)c2ccccc2OC(C)C)c1Cl
InChIInChI=1S/C17H20ClNO/c1-11(2)20-15-10-5-4-8-13(15)17(19)14-9-6-7-12(3)16(14)18/h4-11,17H,19H2,1-3H3
InChIKeyWSIIUOOHUVKWSD-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.48
Rot. Bonds4

About (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine

(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 105018279) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine
PubChem CID105018279
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine
SMILESCc1cccc(C(N)c2ccccc2OC(C)C)c1Cl
InChIInChI=1S/C17H20ClNO/c1-11(2)20-15-10-5-4-8-13(15)17(19)14-9-6-7-12(3)16(14)18/h4-11,17H,19H2,1-3H3
InChIKeyWSIIUOOHUVKWSD-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 106692739
(4-chloro-2,5-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018161
(2,6-dimethyl-4-pyridinyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107503067
(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 105170979
(4-iodophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 105018125
(2-chloro-3-methylphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102841186
[(2,3-dichlorophenyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326117
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
(2-bromo-3,4-difluorophenyl)-(2-propan-2-yloxyphenyl)methanamine
CID 107538588
2-chloro-3-propan-2-yloxyaniline
CID 67383327

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine (CID 105018279) is (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine is Cc1cccc(C(N)c2ccccc2OC(C)C)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is WSIIUOOHUVKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11(2)20-15-10-5-4-8-13(15)17(19)14-9-6-7-12(3)16(14)18/h4-11,17H,19H2,1-3H3.
What are the key properties of (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine?
(2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 289.81 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105018279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).