N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine

C17H20N2O — CID 115212433

IUPACN-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
SMILESCN(Cc1ccc(N)cc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H20N2O/c1-19(12-13-4-6-15(18)7-5-13)16-8-9-17-14(11-16)3-2-10-20-17/h4-9,11H,2-3,10,12,18H2,1H3
InChIKeyMAPDDAGYBJMJJG-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.23
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine

N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine (PubChem CID 115212433) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
PubChem CID115212433
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
SMILESCN(Cc1ccc(N)cc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H20N2O/c1-19(12-13-4-6-15(18)7-5-13)16-8-9-17-14(11-16)3-2-10-20-17/h4-9,11H,2-3,10,12,18H2,1H3
InChIKeyMAPDDAGYBJMJJG-UHFFFAOYSA-N
XLogP3.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205260
4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
CID 117039127
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
CID 115260679
N-[(3-aminophenyl)methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115211829
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
1-[3,4-dihydro-2H-chromen-6-ylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 115137029
1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
4-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylaniline
CID 116926125
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylazetidin-3-amine
CID 117040712

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine (CID 115212433) is N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine is CN(Cc1ccc(N)cc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is MAPDDAGYBJMJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(12-13-4-6-15(18)7-5-13)16-8-9-17-14(11-16)3-2-10-20-17/h4-9,11H,2-3,10,12,18H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine?
N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 268.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 115212433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).