1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride

C16H23ClN2O2 — CID 90672311

IUPAC1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCl.NCCCNCC(O)COc1cccc2ccccc12
InChIInChI=1S/C16H22N2O2.ClH/c17-9-4-10-18-11-14(19)12-20-16-8-3-6-13-5-1-2-7-15(13)16;/h1-3,5-8,14,18-19H,4,9-12,17H2;1H
InChIKeyWXEVFWMREGPDMX-UHFFFAOYSA-N
MW310.82 g/mol
LogP1.94
Rot. Bonds8

About 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride

1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (PubChem CID 90672311) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
PubChem CID90672311
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
SMILESCl.NCCCNCC(O)COc1cccc2ccccc12
InChIInChI=1S/C16H22N2O2.ClH/c17-9-4-10-18-11-14(19)12-20-16-8-3-6-13-5-1-2-7-15(13)16;/h1-3,5-8,14,18-19H,4,9-12,17H2;1H
InChIKeyWXEVFWMREGPDMX-UHFFFAOYSA-N
XLogP1.94
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
4-amino-1-naphthalen-1-yloxybutan-2-ol
CID 86215876
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol
CID 10066392
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride (CID 90672311) is 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is Cl.NCCCNCC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
The InChIKey is WXEVFWMREGPDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c17-9-4-10-18-11-14(19)12-20-16-8-3-6-13-5-1-2-7-15(13)16;/h1-3,5-8,14,18-19H,4,9-12,17H2;1H.
What are the key properties of 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride?
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride is sourced from PubChem (CID 90672311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).