(2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride

C18H32Cl2N2O — CID 69361540

IUPAC(2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride
SMILESCCC1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CCCCC1.Cl.Cl
InChIInChI=1S/C18H30N2O.2ClH/c1-2-18(11-7-4-8-12-18)20-14-17(21)16(19)13-15-9-5-3-6-10-15;;/h3,5-6,9-10,16-17,20-21H,2,4,7-8,11-14,19H2,1H3;2*1H/t16-,17+;;/m0../s1
InChIKeyPIMRXGRNMKBBPM-UXHRTOHASA-N
MW363.37 g/mol
LogP3.46
Rot. Bonds7

About (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride

(2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride (PubChem CID 69361540) has the molecular formula C18H32Cl2N2O and a molecular weight of 363.37 g/mol. Its IUPAC name is (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride
PubChem CID69361540
Molecular FormulaC18H32Cl2N2O
Molecular Weight363.37 g/mol
Exact Mass362.19
IUPAC Name(2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride
SMILESCCC1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CCCCC1.Cl.Cl
InChIInChI=1S/C18H30N2O.2ClH/c1-2-18(11-7-4-8-12-18)20-14-17(21)16(19)13-15-9-5-3-6-10-15;;/h3,5-6,9-10,16-17,20-21H,2,4,7-8,11-14,19H2,1H3;2*1H/t16-,17+;;/m0../s1
InChIKeyPIMRXGRNMKBBPM-UXHRTOHASA-N
XLogP3.46
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride with MolForge

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Related Compounds

(2R,3S)-3-amino-4-phenyl-1-[(1-propan-2-ylcyclobutyl)amino]butan-2-ol
CID 69358318
(2R,3S)-3-amino-1-(1-bicyclo[2.2.2]octanylamino)-4-phenylbutan-2-ol;dihydrochloride
CID 69357598
tert-butyl-[(2S,3S)-4-[(1-ethylcyclohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 69358517
tert-butyl N-[(2S,3R)-4-[(1-ethylcyclobutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 91564469
3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol
CID 142242604
(2R,3S)-3-amino-1-(butylamino)-4-phenylbutan-2-ol
CID 57428241
(2R)-2-amino-N-(1-ethylcyclobutyl)-3-phenylpropanamide
CID 104866236
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
CID 69358558
(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol
CID 142662271
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
CID 139714865
(2R,3S)-3-amino-1-[(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)amino]-4-phenylbutan-2-ol
CID 59468644

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride?
The IUPAC name of (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride (CID 69361540) is (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride.
What is the SMILES notation for (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride?
The canonical SMILES for (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride is CCC1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CCCCC1.Cl.Cl.
What is the InChIKey of (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride?
The InChIKey is PIMRXGRNMKBBPM-UXHRTOHASA-N. The full InChI is InChI=1S/C18H30N2O.2ClH/c1-2-18(11-7-4-8-12-18)20-14-17(21)16(19)13-15-9-5-3-6-10-15;;/h3,5-6,9-10,16-17,20-21H,2,4,7-8,11-14,19H2,1H3;2*1H/t16-,17+;;/m0../s1.
What are the key properties of (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride?
(2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride has a molecular weight of 363.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-1-[(1-ethylcyclohexyl)amino]-4-phenylbutan-2-ol;dihydrochloride is sourced from PubChem (CID 69361540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).