[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine

C17H17Cl2NO — CID 107310651

IUPAC[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(Cc2cccc(Cl)c2Cl)CCOc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c18-14-6-3-4-12(16(14)19)10-17(11-20)8-9-21-15-7-2-1-5-13(15)17/h1-7H,8-11,20H2
InChIKeyWNWKMJVJCKNCFY-UHFFFAOYSA-N
MW322.24 g/mol
LogP4.22
Rot. Bonds3

About [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine

[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine (PubChem CID 107310651) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
PubChem CID107310651
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESNCC1(Cc2cccc(Cl)c2Cl)CCOc2ccccc21
InChIInChI=1S/C17H17Cl2NO/c18-14-6-3-4-12(16(14)19)10-17(11-20)8-9-21-15-7-2-1-5-13(15)17/h1-7H,8-11,20H2
InChIKeyWNWKMJVJCKNCFY-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(3,4-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65407873
[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65408843
(4-butyl-2,3-dihydrochromen-4-yl)methanamine
CID 65407498
[4-[(3-bromothiophen-2-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65409422
[4-(cyclopentylmethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 65407110
[4-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrochromen-4-yl]methanamine
CID 65408459
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868
4-(bromomethyl)-4-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 107310805
[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 106734060
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
[4-(2-bicyclo[2.2.1]heptanylmethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 79558252
[4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromen-4-yl]methanamine
CID 103184853

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The IUPAC name of [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine (CID 107310651) is [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine.
What is the SMILES notation for [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The canonical SMILES for [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine is NCC1(Cc2cccc(Cl)c2Cl)CCOc2ccccc21.
What is the InChIKey of [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The InChIKey is WNWKMJVJCKNCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c18-14-6-3-4-12(16(14)19)10-17(11-20)8-9-21-15-7-2-1-5-13(15)17/h1-7H,8-11,20H2.
What are the key properties of [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
[4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine has a molecular weight of 322.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dichlorophenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine is sourced from PubChem (CID 107310651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).