2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol

C18H27NO2 — CID 19021789

IUPAC2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol
SMILESOc1cccc2c1OC(CNCC1CCCCCC1)CC2
InChIInChI=1S/C18H27NO2/c20-17-9-5-8-15-10-11-16(21-18(15)17)13-19-12-14-6-3-1-2-4-7-14/h5,8-9,14,16,19-20H,1-4,6-7,10-13H2
InChIKeyTWJSGFWBMJCSKC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.65
Rot. Bonds4

About 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol

2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol (PubChem CID 19021789) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol.

Molecular Properties

Compound Name2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol
PubChem CID19021789
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol
SMILESOc1cccc2c1OC(CNCC1CCCCCC1)CC2
InChIInChI=1S/C18H27NO2/c20-17-9-5-8-15-10-11-16(21-18(15)17)13-19-12-14-6-3-1-2-4-7-14/h5,8-9,14,16,19-20H,1-4,6-7,10-13H2
InChIKeyTWJSGFWBMJCSKC-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
[(2R)-8-(aminomethyl)-3,4-dihydro-2H-chromen-2-yl]methanol
CID 89232720
N-benzyl-1-[(2R)-8-propan-2-yloxy-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 12047590
[(2R)-8-iodo-3,4-dihydro-2H-chromen-2-yl]methanol
CID 71056694
2-(4-cyclohexylbutyl)-7,8-difluoro-3,4-dihydro-2H-chromene
CID 59795105
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-[1-(2,3-dihydro-1-benzofuran-7-yl)piperidin-4-yl]methanamine
CID 101040199
1-[(2S)-8-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-2-yl]-N-methylmethanamine;hydrochloride
CID 69117191
1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 138714590
1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 114146466
(2R)-2-[(benzylamino)methyl]-6-chloro-3,4-dihydro-2H-chromen-7-ol
CID 10685891
2-piperidin-4-yl-3,4-dihydro-2H-chromen-8-ol
CID 117046615

Frequently Asked Questions

What is the IUPAC name of 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol?
The IUPAC name of 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol (CID 19021789) is 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol.
What is the SMILES notation for 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol?
The canonical SMILES for 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol is Oc1cccc2c1OC(CNCC1CCCCCC1)CC2.
What is the InChIKey of 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol?
The InChIKey is TWJSGFWBMJCSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-17-9-5-8-15-10-11-16(21-18(15)17)13-19-12-14-6-3-1-2-4-7-14/h5,8-9,14,16,19-20H,1-4,6-7,10-13H2.
What are the key properties of 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol?
2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol has a molecular weight of 289.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cycloheptylmethylamino)methyl]-3,4-dihydro-2H-chromen-8-ol is sourced from PubChem (CID 19021789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).