4aH-benzo[c]chromen-2-ylmethanamine

C14H13NO — CID 88848106

IUPAC4aH-benzo[c]chromen-2-ylmethanamine
SMILESNCC1=CC2=c3ccccc3=COC2C=C1
InChIInChI=1S/C14H13NO/c15-8-10-5-6-14-13(7-10)12-4-2-1-3-11(12)9-16-14/h1-7,9,14H,8,15H2
InChIKeyFBBCTYJQFVGTHR-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.43
Rot. Bonds1

About 4aH-benzo[c]chromen-2-ylmethanamine

4aH-benzo[c]chromen-2-ylmethanamine (PubChem CID 88848106) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 4aH-benzo[c]chromen-2-ylmethanamine.

Molecular Properties

Compound Name4aH-benzo[c]chromen-2-ylmethanamine
PubChem CID88848106
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name4aH-benzo[c]chromen-2-ylmethanamine
SMILESNCC1=CC2=c3ccccc3=COC2C=C1
InChIInChI=1S/C14H13NO/c15-8-10-5-6-14-13(7-10)12-4-2-1-3-11(12)9-16-14/h1-7,9,14H,8,15H2
InChIKeyFBBCTYJQFVGTHR-UHFFFAOYSA-N
XLogP0.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4aH-benzo[c]chromen-2-ylmethanamine?
The IUPAC name of 4aH-benzo[c]chromen-2-ylmethanamine (CID 88848106) is 4aH-benzo[c]chromen-2-ylmethanamine.
What is the SMILES notation for 4aH-benzo[c]chromen-2-ylmethanamine?
The canonical SMILES for 4aH-benzo[c]chromen-2-ylmethanamine is NCC1=CC2=c3ccccc3=COC2C=C1.
What is the InChIKey of 4aH-benzo[c]chromen-2-ylmethanamine?
The InChIKey is FBBCTYJQFVGTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-8-10-5-6-14-13(7-10)12-4-2-1-3-11(12)9-16-14/h1-7,9,14H,8,15H2.
What are the key properties of 4aH-benzo[c]chromen-2-ylmethanamine?
4aH-benzo[c]chromen-2-ylmethanamine has a molecular weight of 211.26 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-benzo[c]chromen-2-ylmethanamine is sourced from PubChem (CID 88848106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).