1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride

C19H27ClN2O3 — CID 16681804

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride
SMILESCl.OCCN(CCO)CC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O3.ClH/c22-13-11-20(12-14-23)15-19(24)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19,22-24H,11-16H2;1H
InChIKeyIRAJFGSEZCPKSN-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.89
Rot. Bonds10

About 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride

1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride (PubChem CID 16681804) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride
PubChem CID16681804
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride
SMILESCl.OCCN(CCO)CC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H26N2O3.ClH/c22-13-11-20(12-14-23)15-19(24)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19,22-24H,11-16H2;1H
InChIKeyIRAJFGSEZCPKSN-UHFFFAOYSA-N
XLogP1.89
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride (CID 16681804) is 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride is Cl.OCCN(CCO)CC(O)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride?
The InChIKey is IRAJFGSEZCPKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.ClH/c22-13-11-20(12-14-23)15-19(24)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18;/h1-10,19,22-24H,11-16H2;1H.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride?
1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.89, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-(N-phenylanilino)propan-2-ol;hydrochloride is sourced from PubChem (CID 16681804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).