N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine

C17H27NO — CID 112519339

IUPACN-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCOc1ccc(C2(CNC(C)C)CC2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-10-14(6-7-16(15)19-5)17(8-9-17)11-18-13(3)4/h6-7,10,12-13,18H,8-9,11H2,1-5H3
InChIKeySUACJEGLBDJNNM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.85
Rot. Bonds6

About N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine

N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine (PubChem CID 112519339) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
PubChem CID112519339
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
SMILESCOc1ccc(C2(CNC(C)C)CC2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-10-14(6-7-16(15)19-5)17(8-9-17)11-18-13(3)4/h6-7,10,12-13,18H,8-9,11H2,1-5H3
InChIKeySUACJEGLBDJNNM-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112518586
N-[[1-(5-chloro-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62594787
1-(4-methoxy-3-propan-2-ylphenyl)-N-methylcyclopentan-1-amine
CID 82295969
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
[4-(4-methoxy-3-propan-2-ylphenyl)piperidin-4-yl]methanol
CID 82486093
N-[[1-(5-chloro-2-methoxyphenyl)cyclobutyl]methyl]propan-2-amine
CID 62594788
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313
N-[[1-(2,4-dimethoxy-6-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519518
N-[[4-(3,4-dimethylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 55131240
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine (CID 112519339) is N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine is COc1ccc(C2(CNC(C)C)CC2)cc1C(C)C.
What is the InChIKey of N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine?
The InChIKey is SUACJEGLBDJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15-10-14(6-7-16(15)19-5)17(8-9-17)11-18-13(3)4/h6-7,10,12-13,18H,8-9,11H2,1-5H3.
What are the key properties of N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine?
N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 112519339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).