(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine

C19H23Cl2NO2 — CID 51988595

IUPAC(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1cccc(OC)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H23Cl2NO2/c1-4-13(2)22-11-14-7-5-10-18(23-3)19(14)24-12-15-16(20)8-6-9-17(15)21/h5-10,13,22H,4,11-12H2,1-3H3/t13-/m0/s1
InChIKeyZMGNWWVZYVYWJJ-ZDUSSCGKSA-N
MW368.30 g/mol
LogP5.47
Rot. Bonds8

About (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine

(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine (PubChem CID 51988595) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
PubChem CID51988595
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC Name(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1cccc(OC)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C19H23Cl2NO2/c1-4-13(2)22-11-14-7-5-10-18(23-3)19(14)24-12-15-16(20)8-6-9-17(15)21/h5-10,13,22H,4,11-12H2,1-3H3/t13-/m0/s1
InChIKeyZMGNWWVZYVYWJJ-ZDUSSCGKSA-N
XLogP5.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.30
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine with MolForge

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Related Compounds

(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51988522
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-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]butan-2-amine
CID 51991371
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211113
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66531772
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 4717039
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-2-amine
CID 66536604
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylbutan-1-amine
CID 17155730
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 17211116
(2S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 51988848

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine?
The IUPAC name of (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine (CID 51988595) is (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine.
What is the SMILES notation for (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine?
The canonical SMILES for (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine is CC[C@H](C)NCc1cccc(OC)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine?
The InChIKey is ZMGNWWVZYVYWJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23Cl2NO2/c1-4-13(2)22-11-14-7-5-10-18(23-3)19(14)24-12-15-16(20)8-6-9-17(15)21/h5-10,13,22H,4,11-12H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine?
(2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine has a molecular weight of 368.30 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]butan-2-amine is sourced from PubChem (CID 51988595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).