N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine

C14H19NO — CID 107149440

IUPACN-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESc1ccc2c(c1)COCC2NCCC1CC1
InChIInChI=1S/C14H19NO/c1-2-4-13-12(3-1)9-16-10-14(13)15-8-7-11-5-6-11/h1-4,11,14-15H,5-10H2
InChIKeyDYHFJDMZDKDSQW-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.65
Rot. Bonds4

About N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine

N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine (PubChem CID 107149440) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
PubChem CID107149440
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
SMILESc1ccc2c(c1)COCC2NCCC1CC1
InChIInChI=1S/C14H19NO/c1-2-4-13-12(3-1)9-16-10-14(13)15-8-7-11-5-6-11/h1-4,11,14-15H,5-10H2
InChIKeyDYHFJDMZDKDSQW-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-1H-isochromen-4-ylamino)propanamide
CID 107148972
4-(3,4-dihydro-1H-isochromen-4-ylamino)butanoic acid
CID 107149158
N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149291
N-(2,2,3,3-tetrafluoropropyl)-3,4-dihydro-1H-isochromen-4-amine
CID 114169070
N-[3-(4-methylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148871
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772
N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361593
2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol
CID 107149446
N-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149303
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148812
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 107149638

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine?
The IUPAC name of N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine (CID 107149440) is N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine is c1ccc2c(c1)COCC2NCCC1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine?
The InChIKey is DYHFJDMZDKDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-2-4-13-12(3-1)9-16-10-14(13)15-8-7-11-5-6-11/h1-4,11,14-15H,5-10H2.
What are the key properties of N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine?
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine has a molecular weight of 217.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine is sourced from PubChem (CID 107149440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).