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

C16H24N2O — CID 82188018

IUPAC3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1CN1CCCCCC1
InChIInChI=1S/C16H24N2O/c17-16-13(11-18-9-5-1-2-6-10-18)12-19-15-8-4-3-7-14(15)16/h3-4,7-8,13,16H,1-2,5-6,9-12,17H2
InChIKeyRUTMFYJFUMYUDV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.57
Rot. Bonds2

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

3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82188018) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82188018
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1CN1CCCCCC1
InChIInChI=1S/C16H24N2O/c17-16-13(11-18-9-5-1-2-6-10-18)12-19-15-8-4-3-7-14(15)16/h3-4,7-8,13,16H,1-2,5-6,9-12,17H2
InChIKeyRUTMFYJFUMYUDV-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-3-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188264
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
8-ethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188064
8-propan-2-yl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188074
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
6-ethyl-3-[(4-ethylpiperazin-1-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82188101
2-[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]ethanamine
CID 79226330
5,7-dimethyl-3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188162
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)piperidin-3-amine
CID 79230283
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 82188018) is 3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is NC1c2ccccc2OCC1CN1CCCCCC1.
What is the InChIKey of 3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RUTMFYJFUMYUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-16-13(11-18-9-5-1-2-6-10-18)12-19-15-8-4-3-7-14(15)16/h3-4,7-8,13,16H,1-2,5-6,9-12,17H2.
What are the key properties of 3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82188018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).