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

C17H19NO — CID 43221297

IUPACN-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccccc1CNC1CCOc2ccccc21
InChIInChI=1S/C17H19NO/c1-13-6-2-3-7-14(13)12-18-16-10-11-19-17-9-5-4-8-15(16)17/h2-9,16,18H,10-12H2,1H3
InChIKeyYITDLTAXHBZLQC-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.61
Rot. Bonds3

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

N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43221297) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID43221297
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccccc1CNC1CCOc2ccccc21
InChIInChI=1S/C17H19NO/c1-13-6-2-3-7-14(13)12-18-16-10-11-19-17-9-5-4-8-15(16)17/h2-9,16,18H,10-12H2,1H3
InChIKeyYITDLTAXHBZLQC-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
9-methyl-N-[(2-methylphenyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 60912773
N-[1-(2-methylphenyl)propan-2-yl]-3,4-dihydro-2H-chromen-4-amine
CID 60943496
N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 60663725
N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103792365
3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile
CID 62894751
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221295
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61015894
2-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]-4-methoxyphenol
CID 43723819

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 43221297) is N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1ccccc1CNC1CCOc2ccccc21.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YITDLTAXHBZLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-6-2-3-7-14(13)12-18-16-10-11-19-17-9-5-4-8-15(16)17/h2-9,16,18H,10-12H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 253.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43221297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).