(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine

C17H18ClNO — CID 79699671

IUPAC(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
SMILESCOc1cc(C(N)C2Cc3ccccc3C2)ccc1Cl
InChIInChI=1S/C17H18ClNO/c1-20-16-10-13(6-7-15(16)18)17(19)14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14,17H,8-9,19H2,1H3
InChIKeyHAINAEYOGHIENS-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.76
Rot. Bonds3

About (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine

(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine (PubChem CID 79699671) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
PubChem CID79699671
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
SMILESCOc1cc(C(N)C2Cc3ccccc3C2)ccc1Cl
InChIInChI=1S/C17H18ClNO/c1-20-16-10-13(6-7-15(16)18)17(19)14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14,17H,8-9,19H2,1H3
InChIKeyHAINAEYOGHIENS-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 105234117
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 79697209
2,3-dihydro-1H-inden-2-yl-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 106892811
2-[chloro-(3-chloro-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107127418
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893808
(4-chloro-3-methoxyphenyl)-(5-methyloxolan-2-yl)methanamine
CID 105006851
(4-chloro-3-methoxyphenyl)-(oxolan-2-yl)methanamine
CID 79699913
(4-chloro-3-methoxyphenyl)-cyclopentylmethanol
CID 79699326
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methanamine
CID 106601230
1-(4-chloro-3-methoxyphenyl)-2-cyclobutylethanamine
CID 103169066
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine (CID 79699671) is (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine is COc1cc(C(N)C2Cc3ccccc3C2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The InChIKey is HAINAEYOGHIENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-20-16-10-13(6-7-15(16)18)17(19)14-8-11-4-2-3-5-12(11)9-14/h2-7,10,14,17H,8-9,19H2,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
(4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine has a molecular weight of 287.79 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine is sourced from PubChem (CID 79699671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).