N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine

C16H26ClNO2 — CID 63061644

IUPACN-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(CNC(C)(C)C)cc(Cl)c1OCC(C)C
InChIInChI=1S/C16H26ClNO2/c1-11(2)10-20-15-13(17)7-12(8-14(15)19-6)9-18-16(3,4)5/h7-8,11,18H,9-10H2,1-6H3
InChIKeyBRHUEUCEIXKKJI-UHFFFAOYSA-N
MW299.84 g/mol
LogP4.27
Rot. Bonds6

About N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine

N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 63061644) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID63061644
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC NameN-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
SMILESCOc1cc(CNC(C)(C)C)cc(Cl)c1OCC(C)C
InChIInChI=1S/C16H26ClNO2/c1-11(2)10-20-15-13(17)7-12(8-14(15)19-6)9-18-16(3,4)5/h7-8,11,18H,9-10H2,1-6H3
InChIKeyBRHUEUCEIXKKJI-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717186
N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63063707
N-[[3-chloro-5-methoxy-4-(methoxymethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 65365611
N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63061825
N-[[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 63062164
N-[[3-chloro-5-methoxy-4-(3-methylbut-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63062497
N-[[3-chloro-4-[(E)-3-chloro-2-methylprop-2-enoxy]-5-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 106436918
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 55058238
1-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]propan-2-ol
CID 60879592
N-[[3-chloro-5-methoxy-4-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43276583
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 17155612
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine (CID 63061644) is N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine is COc1cc(CNC(C)(C)C)cc(Cl)c1OCC(C)C.
What is the InChIKey of N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BRHUEUCEIXKKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-11(2)10-20-15-13(17)7-12(8-14(15)19-6)9-18-16(3,4)5/h7-8,11,18H,9-10H2,1-6H3.
What are the key properties of N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 299.84 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63061644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).