1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

C16H23ClN2O2 — CID 90672310

IUPAC1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1ccc(N)c2ccccc12.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11(2)18-9-12(19)10-20-16-8-7-15(17)13-5-3-4-6-14(13)16;/h3-8,11-12,18-19H,9-10,17H2,1-2H3;1H
InChIKeyRXDLROUCHNGQSZ-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.58
Rot. Bonds6

About 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (PubChem CID 90672310) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
PubChem CID90672310
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
SMILESCC(C)NCC(O)COc1ccc(N)c2ccccc12.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-11(2)18-9-12(19)10-20-16-8-7-15(17)13-5-3-4-6-14(13)16;/h3-8,11-12,18-19H,9-10,17H2,1-2H3;1H
InChIKeyRXDLROUCHNGQSZ-UHFFFAOYSA-N
XLogP2.58
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 129395847
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalene-1-sulfonamide
CID 129396178
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-(2-amino-5-methoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 154089660
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-9H-carbazol-1-ol
CID 56620754
1-anthracen-9-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 11843223

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride (CID 90672310) is 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is CC(C)NCC(O)COc1ccc(N)c2ccccc12.Cl.
What is the InChIKey of 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
The InChIKey is RXDLROUCHNGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-11(2)18-9-12(19)10-20-16-8-7-15(17)13-5-3-4-6-14(13)16;/h3-8,11-12,18-19H,9-10,17H2,1-2H3;1H.
What are the key properties of 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride?
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 90672310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).