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

C19H23NO — CID 65408843

IUPAC[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESCc1ccc(CC2(CN)CCOc3ccccc32)cc1C
InChIInChI=1S/C19H23NO/c1-14-7-8-16(11-15(14)2)12-19(13-20)9-10-21-18-6-4-3-5-17(18)19/h3-8,11H,9-10,12-13,20H2,1-2H3
InChIKeyKXAZNIHHLQZHJV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.53
Rot. Bonds3

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

[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine (PubChem CID 65408843) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is [4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
PubChem CID65408843
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine
SMILESCc1ccc(CC2(CN)CCOc3ccccc32)cc1C
InChIInChI=1S/C19H23NO/c1-14-7-8-16(11-15(14)2)12-19(13-20)9-10-21-18-6-4-3-5-17(18)19/h3-8,11H,9-10,12-13,20H2,1-2H3
InChIKeyKXAZNIHHLQZHJV-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The IUPAC name of [4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine (CID 65408843) is [4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine.
What is the SMILES notation for [4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The canonical SMILES for [4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine is Cc1ccc(CC2(CN)CCOc3ccccc32)cc1C.
What is the InChIKey of [4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
The InChIKey is KXAZNIHHLQZHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-14-7-8-16(11-15(14)2)12-19(13-20)9-10-21-18-6-4-3-5-17(18)19/h3-8,11H,9-10,12-13,20H2,1-2H3.
What are the key properties of [4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine?
[4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethylphenyl)methyl]-2,3-dihydrochromen-4-yl]methanamine is sourced from PubChem (CID 65408843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).