(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine

C22H23Cl2NO — CID 40726488

IUPAC(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C22H23Cl2NO/c1-3-15(2)25-13-20-19-7-5-4-6-16(19)9-11-22(20)26-14-17-8-10-18(23)12-21(17)24/h4-12,15,25H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyBYFHCIROPNRNFX-HNNXBMFYSA-N
MW388.34 g/mol
LogP6.61
Rot. Bonds7

About (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine

(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine (PubChem CID 40726488) has the molecular formula C22H23Cl2NO and a molecular weight of 388.34 g/mol. Its IUPAC name is (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
PubChem CID40726488
Molecular FormulaC22H23Cl2NO
Molecular Weight388.34 g/mol
Exact Mass387.12
IUPAC Name(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
SMILESCC[C@H](C)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12
InChIInChI=1S/C22H23Cl2NO/c1-3-15(2)25-13-20-19-7-5-4-6-16(19)9-11-22(20)26-14-17-8-10-18(23)12-21(17)24/h4-12,15,25H,3,13-14H2,1-2H3/t15-/m0/s1
InChIKeyBYFHCIROPNRNFX-HNNXBMFYSA-N
XLogP6.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.34
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine with MolForge

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Related Compounds

(2R)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992052
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 4715514
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine
CID 51992135
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine;hydrochloride
CID 17291448
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17208850
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 17294824
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]heptan-1-amine;hydrochloride
CID 17291175
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209602
(2S)-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-2-amine
CID 40726644
2-[2-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17294818
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]cycloheptanamine;hydrochloride
CID 17294822

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine?
The IUPAC name of (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine (CID 40726488) is (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine.
What is the SMILES notation for (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine?
The canonical SMILES for (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine is CC[C@H](C)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12.
What is the InChIKey of (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine?
The InChIKey is BYFHCIROPNRNFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23Cl2NO/c1-3-15(2)25-13-20-19-7-5-4-6-16(19)9-11-22(20)26-14-17-8-10-18(23)12-21(17)24/h4-12,15,25H,3,13-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine?
(2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine has a molecular weight of 388.34 g/mol, XLogP of 6.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]butan-2-amine is sourced from PubChem (CID 40726488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).