1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine

C24H28ClNO3 — CID 54855712

IUPAC1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine
SMILESCOc1cc(Cl)c(CNCc2c(OCC(C)C)ccc3ccccc23)cc1OC
InChIInChI=1S/C24H28ClNO3/c1-16(2)15-29-22-10-9-17-7-5-6-8-19(17)20(22)14-26-13-18-11-23(27-3)24(28-4)12-21(18)25/h5-12,16,26H,13-15H2,1-4H3
InChIKeyJRFCUGQFCASYPD-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.84
Rot. Bonds9

About 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine

1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine (PubChem CID 54855712) has the molecular formula C24H28ClNO3 and a molecular weight of 413.95 g/mol. Its IUPAC name is 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine
PubChem CID54855712
Molecular FormulaC24H28ClNO3
Molecular Weight413.95 g/mol
Exact Mass413.18
IUPAC Name1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine
SMILESCOc1cc(Cl)c(CNCc2c(OCC(C)C)ccc3ccccc23)cc1OC
InChIInChI=1S/C24H28ClNO3/c1-16(2)15-29-22-10-9-17-7-5-6-8-19(17)20(22)14-26-13-18-11-23(27-3)24(28-4)12-21(18)25/h5-12,16,26H,13-15H2,1-4H3
InChIKeyJRFCUGQFCASYPD-UHFFFAOYSA-N
XLogP5.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine with MolForge

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Related Compounds

1-(2-chloro-4,5-dimethoxyphenyl)-N-[(2-decoxynaphthalen-1-yl)methyl]methanamine
CID 54855639
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-[2-(2-methylpropoxy)phenyl]methanamine
CID 54855372
N,N'-bis[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]hexane-1,6-diamine
CID 44531940
3-methoxy-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]propan-1-amine
CID 54849354
1-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]methanamine
CID 54849395
N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]octan-1-amine
CID 54807559
N-[(2-methoxynaphthalen-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115584591
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724097
(2S)-1-[[2-[(2,6-dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 51997008
N-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207194
N-[[2-(2-ethylbutoxy)naphthalen-1-yl]methyl]ethanamine
CID 82926082
N-[[2-(2-methoxyethoxy)naphthalen-1-yl]methyl]-2-methylpropan-1-amine
CID 63055930

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine?
The IUPAC name of 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine (CID 54855712) is 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine?
The canonical SMILES for 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine is COc1cc(Cl)c(CNCc2c(OCC(C)C)ccc3ccccc23)cc1OC.
What is the InChIKey of 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine?
The InChIKey is JRFCUGQFCASYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClNO3/c1-16(2)15-29-22-10-9-17-7-5-6-8-19(17)20(22)14-26-13-18-11-23(27-3)24(28-4)12-21(18)25/h5-12,16,26H,13-15H2,1-4H3.
What are the key properties of 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine?
1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine has a molecular weight of 413.95 g/mol, XLogP of 5.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-dimethoxyphenyl)-N-[[2-(2-methylpropoxy)naphthalen-1-yl]methyl]methanamine is sourced from PubChem (CID 54855712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).