3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol

C16H26N2O2 — CID 83177752

IUPAC3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol
SMILESCOc1ccc2c(c1)CC(CN)(NC(C)CCO)CC2
InChIInChI=1S/C16H26N2O2/c1-12(6-8-19)18-16(11-17)7-5-13-3-4-15(20-2)9-14(13)10-16/h3-4,9,12,18-19H,5-8,10-11,17H2,1-2H3
InChIKeyUSGDYTIDNDYTHG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.24
Rot. Bonds6

About 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol

3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol (PubChem CID 83177752) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol
PubChem CID83177752
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol
SMILESCOc1ccc2c(c1)CC(CN)(NC(C)CCO)CC2
InChIInChI=1S/C16H26N2O2/c1-12(6-8-19)18-16(11-17)7-5-13-3-4-15(20-2)9-14(13)10-16/h3-4,9,12,18-19H,5-8,10-11,17H2,1-2H3
InChIKeyUSGDYTIDNDYTHG-UHFFFAOYSA-N
XLogP1.24
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol?
The IUPAC name of 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol (CID 83177752) is 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol is COc1ccc2c(c1)CC(CN)(NC(C)CCO)CC2.
What is the InChIKey of 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol?
The InChIKey is USGDYTIDNDYTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(6-8-19)18-16(11-17)7-5-13-3-4-15(20-2)9-14(13)10-16/h3-4,9,12,18-19H,5-8,10-11,17H2,1-2H3.
What are the key properties of 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol?
3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol is sourced from PubChem (CID 83177752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).