3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine

C17H22N2O — CID 90348343

IUPAC3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine
SMILESCOc1ccc2ncc3c(c2c1)CC(CCCN)CC3
InChIInChI=1S/C17H22N2O/c1-20-14-6-7-17-16(10-14)15-9-12(3-2-8-18)4-5-13(15)11-19-17/h6-7,10-12H,2-5,8-9,18H2,1H3
InChIKeyQPNFPVHZCVPQDI-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.09
Rot. Bonds4

About 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine

3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine (PubChem CID 90348343) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine
PubChem CID90348343
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine
SMILESCOc1ccc2ncc3c(c2c1)CC(CCCN)CC3
InChIInChI=1S/C17H22N2O/c1-20-14-6-7-17-16(10-14)15-9-12(3-2-8-18)4-5-13(15)11-19-17/h6-7,10-12H,2-5,8-9,18H2,1H3
InChIKeyQPNFPVHZCVPQDI-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-9-methoxy-2,3-dihydro-1H-thiopyrano[2,3-c]quinoline
CID 86730711
2-[1-(3-chloro-6-methoxyquinolin-4-yl)piperidin-4-yl]ethanamine
CID 68900992
3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
CID 53475922
(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 15718592
[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81423982
(4-aminocyclohexyl)-(8-methoxy-1,2-dihydrofuro[2,3-c]quinolin-2-yl)methanol
CID 90343289
4-[3-(4-chlorophenoxy)propoxy]-6-methoxyquinoline-3-carbonitrile
CID 166329872
2-(6-methoxyquinazolin-4-yl)ethanamine
CID 105455353
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
9-methoxy-N-piperidin-4-yl-2,3-dihydro-1H-pyrano[2,3-c]quinolin-2-amine
CID 67248305
4-[3-[1-[2-(2,6-difluorophenoxy)ethyl]piperidin-4-yl]propyl]-3-fluoro-6-methoxyquinoline
CID 151479171
4-amino-6-methoxyquinolin-3-ol
CID 84662489

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine?
The IUPAC name of 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine (CID 90348343) is 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine?
The canonical SMILES for 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine is COc1ccc2ncc3c(c2c1)CC(CCCN)CC3.
What is the InChIKey of 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine?
The InChIKey is QPNFPVHZCVPQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-14-6-7-17-16(10-14)15-9-12(3-2-8-18)4-5-13(15)11-19-17/h6-7,10-12H,2-5,8-9,18H2,1H3.
What are the key properties of 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine?
3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-7,8,9,10-tetrahydrophenanthridin-9-yl)propan-1-amine is sourced from PubChem (CID 90348343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).