4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline

C17H19NO — CID 116926125

IUPAC4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
SMILESCNc1ccc(Cc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C17H19NO/c1-18-16-7-4-13(5-8-16)11-14-6-9-17-15(12-14)3-2-10-19-17/h4-9,12,18H,2-3,10-11H2,1H3
InChIKeyXNYFYMQTRYLPNO-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.64
Rot. Bonds3

About 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline

4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline (PubChem CID 116926125) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
PubChem CID116926125
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
SMILESCNc1ccc(Cc2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C17H19NO/c1-18-16-7-4-13(5-8-16)11-14-6-9-17-15(12-14)3-2-10-19-17/h4-9,12,18H,2-3,10-11H2,1H3
InChIKeyXNYFYMQTRYLPNO-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
N-(2-methylpropyl)-3,4-dihydro-2H-chromen-6-amine
CID 115876909
2-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,2-dimethylpropane-1,2-diamine
CID 115132458
1-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)methanamine
CID 115258559
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-6-amine
CID 115244530
1-(3,4-dihydro-2H-chromen-6-yl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244745
4-(3,4-dihydro-2H-chromen-6-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 65306110
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
4-(3,4-dihydro-2H-chromen-6-yl)-N'-methylbutanehydrazide
CID 116846526
1-(3,4-dihydro-2H-chromen-6-yl)-N-(furan-2-ylmethyl)methanamine
CID 63022983
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline (CID 116926125) is 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline is CNc1ccc(Cc2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline?
The InChIKey is XNYFYMQTRYLPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-18-16-7-4-13(5-8-16)11-14-6-9-17-15(12-14)3-2-10-19-17/h4-9,12,18H,2-3,10-11H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline?
4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline has a molecular weight of 253.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline is sourced from PubChem (CID 116926125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).