(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine

C20H27NO2 — CID 51988522

IUPAC(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1cccc(OC)c1OCc1ccccc1C
InChIInChI=1S/C20H27NO2/c1-5-16(3)21-13-17-11-8-12-19(22-4)20(17)23-14-18-10-7-6-9-15(18)2/h6-12,16,21H,5,13-14H2,1-4H3/t16-/m0/s1
InChIKeyHAMXPHPSJBHRCI-INIZCTEOSA-N
MW313.44 g/mol
LogP4.47
Rot. Bonds8

About (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine

(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine (PubChem CID 51988522) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
PubChem CID51988522
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1cccc(OC)c1OCc1ccccc1C
InChIInChI=1S/C20H27NO2/c1-5-16(3)21-13-17-11-8-12-19(22-4)20(17)23-14-18-10-7-6-9-15(18)2/h6-12,16,21H,5,13-14H2,1-4H3/t16-/m0/s1
InChIKeyHAMXPHPSJBHRCI-INIZCTEOSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
CID 51988595
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine;hydrochloride
CID 17291397
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
(2S)-N-[[3-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51991300
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 66535051
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
(2S)-N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993745
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211113
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]butan-1-ol
CID 4716006
N-[[6-bromo-3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 66536671
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
The IUPAC name of (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine (CID 51988522) is (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine.
What is the SMILES notation for (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
The canonical SMILES for (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine is CC[C@H](C)NCc1cccc(OC)c1OCc1ccccc1C.
What is the InChIKey of (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
The InChIKey is HAMXPHPSJBHRCI-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27NO2/c1-5-16(3)21-13-17-11-8-12-19(22-4)20(17)23-14-18-10-7-6-9-15(18)2/h6-12,16,21H,5,13-14H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine has a molecular weight of 313.44 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 51988522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).