1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine

C13H17NO — CID 117291912

IUPAC1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C13H17NO/c14-13(5-6-13)9-10-3-4-12-11(8-10)2-1-7-15-12/h3-4,8H,1-2,5-7,9,14H2
InChIKeyIFQIMWMRPJOAOR-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.05
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine

1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine (PubChem CID 117291912) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
PubChem CID117291912
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2ccc3c(c2)CCCO3)CC1
InChIInChI=1S/C13H17NO/c14-13(5-6-13)9-10-3-4-12-11(8-10)2-1-7-15-12/h3-4,8H,1-2,5-7,9,14H2
InChIKeyIFQIMWMRPJOAOR-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropyl]methanol
CID 116928892
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
CID 116929348
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 116929020
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
CID 116929640
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine
CID 65305296
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 115245808
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
2-(3,4-dihydro-2H-chromen-6-yl)-N'-hydroxyethanimidamide
CID 83882758
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
CID 115261148
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine (CID 117291912) is 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine is NC1(Cc2ccc3c(c2)CCCO3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine?
The InChIKey is IFQIMWMRPJOAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c14-13(5-6-13)9-10-3-4-12-11(8-10)2-1-7-15-12/h3-4,8H,1-2,5-7,9,14H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine?
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 117291912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).