N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine

C15H22N2O — CID 113422693

IUPACN-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine
SMILESCC1COc2ccccc2C1N(C)C1CCNC1
InChIInChI=1S/C15H22N2O/c1-11-10-18-14-6-4-3-5-13(14)15(11)17(2)12-7-8-16-9-12/h3-6,11-12,15-16H,7-10H2,1-2H3
InChIKeyYQMJLVZANHJDKP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.05
Rot. Bonds2

About N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine

N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine (PubChem CID 113422693) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine
PubChem CID113422693
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine
SMILESCC1COc2ccccc2C1N(C)C1CCNC1
InChIInChI=1S/C15H22N2O/c1-11-10-18-14-6-4-3-5-13(14)15(11)17(2)12-7-8-16-9-12/h3-6,11-12,15-16H,7-10H2,1-2H3
InChIKeyYQMJLVZANHJDKP-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azetidin-3-amine
CID 113422694
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azepan-4-amine
CID 107171928
N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624364
4-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]oxolane-3-carboxylic acid
CID 104524841
(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
CID 175798216
2-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
CID 104524795
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-propylpiperidin-4-amine
CID 79230131
(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
CID 82756095
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
CID 64932917
(3R)-N-cyclopropyl-N-methylpyrrolidin-3-amine
CID 66569483

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine (CID 113422693) is N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine is CC1COc2ccccc2C1N(C)C1CCNC1.
What is the InChIKey of N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine?
The InChIKey is YQMJLVZANHJDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-10-18-14-6-4-3-5-13(14)15(11)17(2)12-7-8-16-9-12/h3-6,11-12,15-16H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine?
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine has a molecular weight of 246.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 113422693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).