N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine

C17H27NO3 — CID 103887921

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine
SMILESCOc1cc(CNC2CCOC(C)C2)ccc1OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)21-16-6-5-14(10-17(16)19-4)11-18-15-7-8-20-13(3)9-15/h5-6,10,12-13,15,18H,7-9,11H2,1-4H3
InChIKeyYEEGLBKISYFRHO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.14
Rot. Bonds6

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine (PubChem CID 103887921) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine
PubChem CID103887921
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine
SMILESCOc1cc(CNC2CCOC(C)C2)ccc1OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)21-16-6-5-14(10-17(16)19-4)11-18-15-7-8-20-13(3)9-15/h5-6,10,12-13,15,18H,7-9,11H2,1-4H3
InChIKeyYEEGLBKISYFRHO-UHFFFAOYSA-N
XLogP3.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
CID 103887972
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine
CID 103907180
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
CID 103920966
N-[[4-(methoxymethyl)phenyl]methyl]-2-methyloxan-4-amine
CID 103887979
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119127138
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
(5R)-9-chloro-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 97229876
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 61019678
3-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]piperidin-2-one
CID 62092846

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine (CID 103887921) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine is COc1cc(CNC2CCOC(C)C2)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine?
The InChIKey is YEEGLBKISYFRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)21-16-6-5-14(10-17(16)19-4)11-18-15-7-8-20-13(3)9-15/h5-6,10,12-13,15,18H,7-9,11H2,1-4H3.
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine has a molecular weight of 293.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine is sourced from PubChem (CID 103887921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).