[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine

C14H15NOS — CID 82479154

IUPAC[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine
SMILESNCc1cscc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H15NOS/c15-7-12-8-17-9-13(12)10-3-4-14-11(6-10)2-1-5-16-14/h3-4,6,8-9H,1-2,5,7,15H2
InChIKeyAFVMAMQJALDTOS-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.20
Rot. Bonds2

About [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine

[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine (PubChem CID 82479154) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine
PubChem CID82479154
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine
SMILESNCc1cscc1-c1ccc2c(c1)CCCO2
InChIInChI=1S/C14H15NOS/c15-7-12-8-17-9-13(12)10-3-4-14-11(6-10)2-1-5-16-14/h3-4,6,8-9H,1-2,5,7,15H2
InChIKeyAFVMAMQJALDTOS-UHFFFAOYSA-N
XLogP3.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
[3-(3,4-dihydro-2H-chromen-6-yl)pyrazin-2-yl]methanamine
CID 82477483
[3-(3,4-dihydro-2H-chromen-6-yl)-1H-pyrazol-5-yl]methanamine
CID 82474070
2-(aminomethyl)-4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazole-5-carbonitrile
CID 96668019
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
2-(3,4-dihydro-2H-chromen-6-yl)-4-fluoroaniline
CID 54912524
2-[2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-yl]acetic acid
CID 98019181
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
[5-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazol-2-yl]methanamine
CID 82649644
2-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-4-ol
CID 116889808
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920
N-[[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]ethanamine
CID 61032565

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine?
The IUPAC name of [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine (CID 82479154) is [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine.
What is the SMILES notation for [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine?
The canonical SMILES for [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine is NCc1cscc1-c1ccc2c(c1)CCCO2.
What is the InChIKey of [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine?
The InChIKey is AFVMAMQJALDTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c15-7-12-8-17-9-13(12)10-3-4-14-11(6-10)2-1-5-16-14/h3-4,6,8-9H,1-2,5,7,15H2.
What are the key properties of [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine?
[4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine has a molecular weight of 245.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-chromen-6-yl)thiophen-3-yl]methanamine is sourced from PubChem (CID 82479154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).