N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine

C17H27NO — CID 62712827

IUPACN-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1CC1(C)CC1CNCC(C)C
InChIInChI=1S/C17H27NO/c1-13(2)11-18-12-15-10-17(15,3)9-14-7-5-6-8-16(14)19-4/h5-8,13,15,18H,9-12H2,1-4H3
InChIKeyRUTSIRVRYSOOSC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds7

About N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 62712827) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID62712827
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccccc1CC1(C)CC1CNCC(C)C
InChIInChI=1S/C17H27NO/c1-13(2)11-18-12-15-10-17(15,3)9-14-7-5-6-8-16(14)19-4/h5-8,13,15,18H,9-12H2,1-4H3
InChIKeyRUTSIRVRYSOOSC-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
N-[2-(2-methoxyphenyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405438
N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512223
N-[[2-(2-methoxy-5-methylphenyl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62714065
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
2-[(2-methoxyphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530358
N-[[1-(2-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65013877
3-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)azetidine
CID 79451831
2-[(2-methoxyphenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498326
N-[[1-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62724376
2-[(2-methoxyphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151448
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine (CID 62712827) is N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine is COc1ccccc1CC1(C)CC1CNCC(C)C.
What is the InChIKey of N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RUTSIRVRYSOOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)11-18-12-15-10-17(15,3)9-14-7-5-6-8-16(14)19-4/h5-8,13,15,18H,9-12H2,1-4H3.
What are the key properties of N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-methoxyphenyl)methyl]-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62712827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).