(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol

C15H26N2O2 — CID 142662271

IUPAC(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol
SMILESCCCOCCNC[C@H](O)C(N)Cc1ccccc1
InChIInChI=1S/C15H26N2O2/c1-2-9-19-10-8-17-12-15(18)14(16)11-13-6-4-3-5-7-13/h3-7,14-15,17-18H,2,8-12,16H2,1H3/t14?,15-/m0/s1
InChIKeyUASSPVSKEKMIJU-LOACHALJSA-N
MW266.38 g/mol
LogP0.93
Rot. Bonds10

About (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol

(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol (PubChem CID 142662271) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol
PubChem CID142662271
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol
SMILESCCCOCCNC[C@H](O)C(N)Cc1ccccc1
InChIInChI=1S/C15H26N2O2/c1-2-9-19-10-8-17-12-15(18)14(16)11-13-6-4-3-5-7-13/h3-7,14-15,17-18H,2,8-12,16H2,1H3/t14?,15-/m0/s1
InChIKeyUASSPVSKEKMIJU-LOACHALJSA-N
XLogP0.93
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 50.93
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

(2R,3S)-3-amino-1-(butylamino)-4-phenylbutan-2-ol
CID 57428241
(2R,3S)-3-amino-4-phenyl-1-(2-phenylethylamino)butan-2-ol
CID 68607283
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
(2R,3S)-3-amino-1-[5-(heptan-4-ylamino)heptylamino]-4-phenylbutan-2-ol
CID 69435788
3-amino-4-phenyl-1-(2-phenylethoxyamino)butan-2-ol
CID 142242604
(2S)-3-amino-1-[(4-methylphenyl)methylamino]-4-phenylbutan-2-ol
CID 142662276
(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457
(2R,3S)-3-amino-1-[(3,4-dimethylphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608839
(2R,3S)-3-amino-1-[(2-methyl-1-phenylmethoxypropan-2-yl)amino]-4-phenylbutan-2-ol
CID 69361411
1-phenyl-4-propoxybutan-2-ol
CID 105076516
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
CID 69358558

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol?
The IUPAC name of (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol (CID 142662271) is (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol.
What is the SMILES notation for (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol?
The canonical SMILES for (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol is CCCOCCNC[C@H](O)C(N)Cc1ccccc1.
What is the InChIKey of (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol?
The InChIKey is UASSPVSKEKMIJU-LOACHALJSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-9-19-10-8-17-12-15(18)14(16)11-13-6-4-3-5-7-13/h3-7,14-15,17-18H,2,8-12,16H2,1H3/t14?,15-/m0/s1.
What are the key properties of (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol?
(2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 0.93, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-4-phenyl-1-(2-propoxyethylamino)butan-2-ol is sourced from PubChem (CID 142662271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).