N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

C16H25NO — CID 114199461

IUPACN-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(OC2(CNCC(C)C)CC2)cc1C
InChIInChI=1S/C16H25NO/c1-12(2)10-17-11-16(7-8-16)18-15-6-5-13(3)14(4)9-15/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyMXQRSWMWQUWFRG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds6

About N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 114199461) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID114199461
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(OC2(CNCC(C)C)CC2)cc1C
InChIInChI=1S/C16H25NO/c1-12(2)10-17-11-16(7-8-16)18-15-6-5-13(3)14(4)9-15/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyMXQRSWMWQUWFRG-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methoxyphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199444
N-[[1-(3-fluorophenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199475
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433
2-[1-(3,4-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273611
N-[[1-(2-ethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199421
2-methoxy-N-[[1-(3-methylphenoxy)cyclopropyl]methyl]ethanamine
CID 114199465
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273497
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 83140093
[1-(4-chloro-3-methylphenoxy)cyclopropyl]methanamine
CID 126973987

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 114199461) is N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is Cc1ccc(OC2(CNCC(C)C)CC2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is MXQRSWMWQUWFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)10-17-11-16(7-8-16)18-15-6-5-13(3)14(4)9-15/h5-6,9,12,17H,7-8,10-11H2,1-4H3.
What are the key properties of N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114199461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).