N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine

C21H20N2O — CID 129186352

IUPACN-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine
SMILESc1ccc(-c2ccc3c(c2)OCC[C@@H]3CNc2cccnc2)cc1
InChIInChI=1S/C21H20N2O/c1-2-5-16(6-3-1)17-8-9-20-18(10-12-24-21(20)13-17)14-23-19-7-4-11-22-15-19/h1-9,11,13,15,18,23H,10,12,14H2/t18-/m1/s1
InChIKeyGAVDMIUQJFUXDP-GOSISDBHSA-N
MW316.40 g/mol
LogP4.73
Rot. Bonds4

About N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine

N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine (PubChem CID 129186352) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine
PubChem CID129186352
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC NameN-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine
SMILESc1ccc(-c2ccc3c(c2)OCC[C@@H]3CNc2cccnc2)cc1
InChIInChI=1S/C21H20N2O/c1-2-5-16(6-3-1)17-8-9-20-18(10-12-24-21(20)13-17)14-23-19-7-4-11-22-15-19/h1-9,11,13,15,18,23H,10,12,14H2/t18-/m1/s1
InChIKeyGAVDMIUQJFUXDP-GOSISDBHSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(4R)-7-(N-methyl-4-propan-2-ylanilino)-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine
CID 167473837
3-[[7-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
CID 77105139
methyl 3-[[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylate
CID 155313811
3-[[7-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
CID 118606488
3-[[7-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
CID 118606527
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-iodoaniline
CID 104768255
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-fluoroaniline
CID 115756557
3-[[7-(5-cyanothiophen-3-yl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
CID 155314072
methoxy-[3-[[(4S)-7-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methylamino]-4-pyridinyl]methanol
CID 155364489
3-[[(4S)-7-[5-(trifluoromethyl)thiophen-3-yl]-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carboxylic acid
CID 118612481
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-propan-2-ylaniline
CID 104768252
3-[[7-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carbaldehyde
CID 144656411

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine?
The IUPAC name of N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine (CID 129186352) is N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine.
What is the SMILES notation for N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine?
The canonical SMILES for N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine is c1ccc(-c2ccc3c(c2)OCC[C@@H]3CNc2cccnc2)cc1.
What is the InChIKey of N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine?
The InChIKey is GAVDMIUQJFUXDP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20N2O/c1-2-5-16(6-3-1)17-8-9-20-18(10-12-24-21(20)13-17)14-23-19-7-4-11-22-15-19/h1-9,11,13,15,18,23H,10,12,14H2/t18-/m1/s1.
What are the key properties of N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine?
N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine has a molecular weight of 316.40 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-7-phenyl-3,4-dihydro-2H-chromen-4-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 129186352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).