N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine

C14H20ClNO2 — CID 113321768

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine
SMILESCOc1ccc(CNC2(C)CCOCC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-14(5-7-18-8-6-14)16-10-11-3-4-13(17-2)12(15)9-11/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyCEPLLSWESVZMCQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.01
Rot. Bonds4

About N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine

N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine (PubChem CID 113321768) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine
PubChem CID113321768
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine
SMILESCOc1ccc(CNC2(C)CCOCC2)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-14(5-7-18-8-6-14)16-10-11-3-4-13(17-2)12(15)9-11/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyCEPLLSWESVZMCQ-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopropan-1-amine
CID 115635166
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylcyclopentan-1-amine
CID 61365376
N-[(3-chloro-4-methoxyphenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965738
[1-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479405
[(3-chloro-4-methoxyphenyl)methylamino]methanethiol
CID 115227883
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylcyclopentan-1-amine
CID 61365354
5-[[[4-(2-chlorophenyl)oxan-4-yl]methylamino]methyl]-2-methoxyphenol
CID 119124485
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
N-[[4-(dimethylamino)phenyl]methyl]-4-methyloxan-4-amine
CID 113321797
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65022730

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine (CID 113321768) is N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine is COc1ccc(CNC2(C)CCOCC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine?
The InChIKey is CEPLLSWESVZMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-14(5-7-18-8-6-14)16-10-11-3-4-13(17-2)12(15)9-11/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine?
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine has a molecular weight of 269.77 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-4-methyloxan-4-amine is sourced from PubChem (CID 113321768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).