5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine

C18H22Cl2N2O2 — CID 67345901

IUPAC5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine
SMILESCC[C@@H](Nc1cc(C(OC)OC)c(Cl)cn1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C18H22Cl2N2O2/c1-5-16(12-6-7-14(19)11(2)8-12)22-17-9-13(15(20)10-21-17)18(23-3)24-4/h6-10,16,18H,5H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyGAWRKNPQQVNDOH-MRXNPFEDSA-N
MW369.29 g/mol
LogP5.55
Rot. Bonds7

About 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine

5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine (PubChem CID 67345901) has the molecular formula C18H22Cl2N2O2 and a molecular weight of 369.29 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine
PubChem CID67345901
Molecular FormulaC18H22Cl2N2O2
Molecular Weight369.29 g/mol
Exact Mass368.11
IUPAC Name5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine
SMILESCC[C@@H](Nc1cc(C(OC)OC)c(Cl)cn1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C18H22Cl2N2O2/c1-5-16(12-6-7-14(19)11(2)8-12)22-17-9-13(15(20)10-21-17)18(23-3)24-4/h6-10,16,18H,5H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyGAWRKNPQQVNDOH-MRXNPFEDSA-N
XLogP5.55
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.29
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[(2S)-2-(4-chloro-3-methylphenyl)butyl]-3-(dimethoxymethyl)-2-methylpyridine
CID 58374530
1-[[2-[[(1R)-1-(4-chloro-3-methylphenyl)propyl]amino]-5-fluoro-4-pyridinyl]methyl]azetidine-3-carboxylic acid
CID 53339433
5-chloro-4-methyl-N-propan-2-ylpyridin-2-amine
CID 58542754
2-N-[1-(4-chloro-3-methylphenyl)propyl]-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CID 15594759
5-chloro-2-(1-phenylpropylamino)pyridine-4-carboxylic acid
CID 114919545
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
1-chloro-4-(diethoxymethyl)-2-methylbenzene
CID 146004660
1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054934
N-[1-(3,4-dichlorophenyl)propyl]-2,3-dimethylaniline
CID 43765643
N-[1-(3,4-dichlorophenyl)propyl]-4-iodo-2-methylaniline
CID 63440708
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine (CID 67345901) is 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine is CC[C@@H](Nc1cc(C(OC)OC)c(Cl)cn1)c1ccc(Cl)c(C)c1.
What is the InChIKey of 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine?
The InChIKey is GAWRKNPQQVNDOH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2/c1-5-16(12-6-7-14(19)11(2)8-12)22-17-9-13(15(20)10-21-17)18(23-3)24-4/h6-10,16,18H,5H2,1-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine?
5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine has a molecular weight of 369.29 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(4-chloro-3-methylphenyl)propyl]-4-(dimethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 67345901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).