(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol

C19H26N2O3 — CID 142662303

IUPAC(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol
SMILESCOc1ccc(CNC[C@H](O)C(N)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C19H26N2O3/c1-23-16-9-8-15(19(11-16)24-2)12-21-13-18(22)17(20)10-14-6-4-3-5-7-14/h3-9,11,17-18,21-22H,10,12-13,20H2,1-2H3/t17?,18-/m0/s1
InChIKeyPDMAPQKXZKKTRF-ZVAWYAOSSA-N
MW330.43 g/mol
LogP1.72
Rot. Bonds9

About (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol

(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol (PubChem CID 142662303) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol
PubChem CID142662303
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol
SMILESCOc1ccc(CNC[C@H](O)C(N)Cc2ccccc2)c(OC)c1
InChIInChI=1S/C19H26N2O3/c1-23-16-9-8-15(19(11-16)24-2)12-21-13-18(22)17(20)10-14-6-4-3-5-7-14/h3-9,11,17-18,21-22H,10,12-13,20H2,1-2H3/t17?,18-/m0/s1
InChIKeyPDMAPQKXZKKTRF-ZVAWYAOSSA-N
XLogP1.72
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol with MolForge

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Related Compounds

(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457
[(2S,3R)-4-[(2,4-dimethoxyphenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 70143955
2-[[(2-hydroxy-3-phenylpropyl)amino]methyl]-5-methoxyphenol
CID 111104741
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
(2R,3S)-3-amino-1-[(3,4-dimethylphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608839
(2R,3R)-2-[(2,4-dimethoxyphenyl)methylamino]-1-phenylhex-5-en-3-ol
CID 102179453
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol;dihydrochloride
CID 57487215
(2R,3S)-3-amino-1-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylbutan-2-ol
CID 69359579
(2R,3S)-3-amino-1-[[2-(2-hydroxyethyl)phenyl]methylamino]-4-phenylbutan-2-ol
CID 68890620
N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine
CID 67729247

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol?
The IUPAC name of (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol (CID 142662303) is (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol.
What is the SMILES notation for (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol?
The canonical SMILES for (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol is COc1ccc(CNC[C@H](O)C(N)Cc2ccccc2)c(OC)c1.
What is the InChIKey of (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol?
The InChIKey is PDMAPQKXZKKTRF-ZVAWYAOSSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-23-16-9-8-15(19(11-16)24-2)12-21-13-18(22)17(20)10-14-6-4-3-5-7-14/h3-9,11,17-18,21-22H,10,12-13,20H2,1-2H3/t17?,18-/m0/s1.
What are the key properties of (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol?
(2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol has a molecular weight of 330.43 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-1-[(2,4-dimethoxyphenyl)methylamino]-4-phenylbutan-2-ol is sourced from PubChem (CID 142662303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).