1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol

C19H28N4O — CID 3021167

IUPAC1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol
SMILESNCc1cccc(CNCC(O)CNCc2cccc(CN)c2)c1
InChIInChI=1S/C19H28N4O/c20-9-15-3-1-5-17(7-15)11-22-13-19(24)14-23-12-18-6-2-4-16(8-18)10-21/h1-8,19,22-24H,9-14,20-21H2
InChIKeyHVRVCYZDRAHSHG-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.84
Rot. Bonds10

About 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol

1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol (PubChem CID 3021167) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol
PubChem CID3021167
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol
SMILESNCc1cccc(CNCC(O)CNCc2cccc(CN)c2)c1
InChIInChI=1S/C19H28N4O/c20-9-15-3-1-5-17(7-15)11-22-13-19(24)14-23-12-18-6-2-4-16(8-18)10-21/h1-8,19,22-24H,9-14,20-21H2
InChIKeyHVRVCYZDRAHSHG-UHFFFAOYSA-N
XLogP0.84
TPSA96.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol?
The IUPAC name of 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol (CID 3021167) is 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol is NCc1cccc(CNCC(O)CNCc2cccc(CN)c2)c1.
What is the InChIKey of 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol?
The InChIKey is HVRVCYZDRAHSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c20-9-15-3-1-5-17(7-15)11-22-13-19(24)14-23-12-18-6-2-4-16(8-18)10-21/h1-8,19,22-24H,9-14,20-21H2.
What are the key properties of 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol?
1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol has a molecular weight of 328.46 g/mol, XLogP of 0.84, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 3021167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).