(2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol

C18H31NO3 — CID 145142002

IUPAC(2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol
SMILESCOCCN(CCCC[C@@H](O)CO)CCCc1ccccc1
InChIInChI=1S/C18H31NO3/c1-22-15-14-19(12-6-5-11-18(21)16-20)13-7-10-17-8-3-2-4-9-17/h2-4,8-9,18,20-21H,5-7,10-16H2,1H3/t18-/m1/s1
InChIKeyORIFTWYJPKUINX-GOSISDBHSA-N
MW309.45 g/mol
LogP2.09
Rot. Bonds13

About (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol

(2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol (PubChem CID 145142002) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol.

Molecular Properties

Compound Name(2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol
PubChem CID145142002
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name(2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol
SMILESCOCCN(CCCC[C@@H](O)CO)CCCc1ccccc1
InChIInChI=1S/C18H31NO3/c1-22-15-14-19(12-6-5-11-18(21)16-20)13-7-10-17-8-3-2-4-9-17/h2-4,8-9,18,20-21H,5-7,10-16H2,1H3/t18-/m1/s1
InChIKeyORIFTWYJPKUINX-GOSISDBHSA-N
XLogP2.09
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-phenylpentane-1,2-diol
CID 102483629
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide
CID 51097264
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
1-[benzyl(2-methoxyethyl)amino]pentan-2-ol
CID 24713640
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
1-(diethylamino)-6-phenylhexan-3-ol
CID 79086968
2-[2-hydroxyethyl(5-phenylpentyl)amino]ethanol
CID 18933224
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
3-(3-phenylpropoxy)propane-1,2-diol
CID 66597635
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
2-amino-N-(2-methoxyethyl)-N-(3-phenylpropyl)acetamide
CID 119307588

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol?
The IUPAC name of (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol (CID 145142002) is (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol.
What is the SMILES notation for (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol?
The canonical SMILES for (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol is COCCN(CCCC[C@@H](O)CO)CCCc1ccccc1.
What is the InChIKey of (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol?
The InChIKey is ORIFTWYJPKUINX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H31NO3/c1-22-15-14-19(12-6-5-11-18(21)16-20)13-7-10-17-8-3-2-4-9-17/h2-4,8-9,18,20-21H,5-7,10-16H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol?
(2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol has a molecular weight of 309.45 g/mol, XLogP of 2.09, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol is sourced from PubChem (CID 145142002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).