1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride

C22H34ClNO2 — CID 18593198

IUPAC1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)COCC12CC3CC(CC(C3)C1)C2)c1ccccc1.Cl
InChIInChI=1S/C22H33NO2.ClH/c1-16(20-5-3-2-4-6-20)23-13-21(24)14-25-15-22-10-17-7-18(11-22)9-19(8-17)12-22;/h2-6,16-19,21,23-24H,7-15H2,1H3;1H
InChIKeyKSROGHHKMPHBIV-UHFFFAOYSA-N
MW379.97 g/mol
LogP4.35
Rot. Bonds8

About 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride

1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride (PubChem CID 18593198) has the molecular formula C22H34ClNO2 and a molecular weight of 379.97 g/mol. Its IUPAC name is 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
PubChem CID18593198
Molecular FormulaC22H34ClNO2
Molecular Weight379.97 g/mol
Exact Mass379.23
IUPAC Name1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)COCC12CC3CC(CC(C3)C1)C2)c1ccccc1.Cl
InChIInChI=1S/C22H33NO2.ClH/c1-16(20-5-3-2-4-6-20)23-13-21(24)14-25-15-22-10-17-7-18(11-22)9-19(8-17)12-22;/h2-6,16-19,21,23-24H,7-15H2,1H3;1H
InChIKeyKSROGHHKMPHBIV-UHFFFAOYSA-N
XLogP4.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.97
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

{3-[2-(Adamantan-1-YL)ethoxy]-2-hydroxypropyl}(1-phenylethyl)amine hydrochloride
CID 2882626
1-[(4-Tert-butylcyclohexyl)oxy]-3-[(1-phenylethyl)amino]-2-propanol hydrochloride
CID 2882825
CID 16196804
CID 16196804
(3R,6R)-6-benzhydryl-4-(benzylamino)oxan-3-ol
CID 71449063
(3S,6S)-6-benzhydryl-4-(benzylamino)oxan-3-ol
CID 71454497
1-(4-Tert-butylcyclohexyl)oxy-3-(1-phenylethylamino)propan-2-ol
CID 2882826
2-Propanol, 1-((alpha-benzylphenethyl)oxy)-3-(cyclohexylamino)-, hydrochloride
CID 215164
(2S,3R,4R,5S)-2,5-bis(benzylamino)-1,6-diphenylhexane-3,4-diol
CID 171354516
1-[2-(Adamantan-1-yl)ethoxy]-3-(4-benzylpiperazin-1-yl)propan-2-ol dihydrochloride
CID 16806817
1-(1-Adamantyl)-2-(benzylamino)ethanol hydrochloride
CID 2853301
3-(Adamantanylmethoxy)-1-[(phenylethyl)amino]propan-2-ol
CID 16456320
3-(Adamantanylmethoxy)-1-(2-1,2,3,4-tetrahydroisoquinolyl)propan-2-ol
CID 16456321

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride (CID 18593198) is 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride is CC(NCC(O)COCC12CC3CC(CC(C3)C1)C2)c1ccccc1.Cl.
What is the InChIKey of 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
The InChIKey is KSROGHHKMPHBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2.ClH/c1-16(20-5-3-2-4-6-20)23-13-21(24)14-25-15-22-10-17-7-18(11-22)9-19(8-17)12-22;/h2-6,16-19,21,23-24H,7-15H2,1H3;1H.
What are the key properties of 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride?
1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride has a molecular weight of 379.97 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantylmethoxy)-3-(1-phenylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 18593198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).