N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C18H18N2O — CID 60663725

IUPACN-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O/c1-3-7-16-14(5-1)13(11-19-16)12-20-17-9-10-21-18-8-4-2-6-15(17)18/h1-8,11,17,19-20H,9-10,12H2
InChIKeyRQPRBZASTSWTIW-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.78
Rot. Bonds3

About N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 60663725) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID60663725
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESc1ccc2c(c1)OCCC2NCc1c[nH]c2ccccc12
InChIInChI=1S/C18H18N2O/c1-3-7-16-14(5-1)13(11-19-16)12-20-17-9-10-21-18-8-4-2-6-15(17)18/h1-8,11,17,19-20H,9-10,12H2
InChIKeyRQPRBZASTSWTIW-UHFFFAOYSA-N
XLogP3.78
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
[(2R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 30442437
[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 30442448
(2S)-2-(carbamoylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1H-indol-3-yl)propanamide
CID 8927914
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 61015894
N-(1H-indol-3-ylmethyl)-2-methylcyclopropan-1-amine
CID 62396352
N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 51203429
3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]furan-2-carboxylic acid
CID 103250046
N-(1H-indol-3-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 61221927
N-[(3,4,5-trifluorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63051373
3-[(3,4-dihydro-2H-chromen-4-ylamino)methyl]pyridine-2-carbonitrile
CID 62894751

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 60663725) is N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is c1ccc2c(c1)OCCC2NCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RQPRBZASTSWTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-7-16-14(5-1)13(11-19-16)12-20-17-9-10-21-18-8-4-2-6-15(17)18/h1-8,11,17,19-20H,9-10,12H2.
What are the key properties of N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 278.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 60663725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).