cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine

C18H22N2O — CID 104769112

IUPACcyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine
SMILESNC(c1ccn(CC2CCOc3ccccc32)c1)C1CC1
InChIInChI=1S/C18H22N2O/c19-18(13-5-6-13)15-7-9-20(12-15)11-14-8-10-21-17-4-2-1-3-16(14)17/h1-4,7,9,12-14,18H,5-6,8,10-11,19H2
InChIKeyXOSZGJOFRNWOLO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.46
Rot. Bonds4

About cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine

cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine (PubChem CID 104769112) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine
PubChem CID104769112
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Namecyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine
SMILESNC(c1ccn(CC2CCOc3ccccc32)c1)C1CC1
InChIInChI=1S/C18H22N2O/c19-18(13-5-6-13)15-7-9-20(12-15)11-14-8-10-21-17-4-2-1-3-16(14)17/h1-4,7,9,12-14,18H,5-6,8,10-11,19H2
InChIKeyXOSZGJOFRNWOLO-UHFFFAOYSA-N
XLogP3.46
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrrol-3-yl]methanamine
CID 79219546
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrole-3-carbaldehyde
CID 104769067
1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
CID 104769097
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
4-(3,4-dihydro-2H-chromen-4-yl)-1-iodobutan-1-amine
CID 118889673
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazol-3-amine
CID 104768448
[1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-yl]methanamine
CID 113451461
3-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-ylmethyl)azetidin-3-amine
CID 104771510
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096
4-(3,4-dihydro-2H-chromen-4-ylmethylsulfanyl)aniline
CID 104768616
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine (CID 104769112) is cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine is NC(c1ccn(CC2CCOc3ccccc32)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine?
The InChIKey is XOSZGJOFRNWOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-18(13-5-6-13)15-7-9-20(12-15)11-14-8-10-21-17-4-2-1-3-16(14)17/h1-4,7,9,12-14,18H,5-6,8,10-11,19H2.
What are the key properties of cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine?
cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]methanamine is sourced from PubChem (CID 104769112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).