1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol

C16H25NO2 — CID 115669684

IUPAC1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCc1cccc(OCCN(C)CC2(O)CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-14-6-5-7-15(12-14)19-11-10-17(2)13-16(18)8-3-4-9-16/h5-7,12,18H,3-4,8-11,13H2,1-2H3
InChIKeyWVEBQWWKZYQTRD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.61
Rot. Bonds6

About 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol

1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol (PubChem CID 115669684) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol
PubChem CID115669684
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCc1cccc(OCCN(C)CC2(O)CCCC2)c1
InChIInChI=1S/C16H25NO2/c1-14-6-5-7-15(12-14)19-11-10-17(2)13-16(18)8-3-4-9-16/h5-7,12,18H,3-4,8-11,13H2,1-2H3
InChIKeyWVEBQWWKZYQTRD-UHFFFAOYSA-N
XLogP2.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[3-(aminomethyl)phenoxy]propyl-methylamino]methyl]cyclopentan-1-ol
CID 114948529
[3-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]oxetan-3-yl]methanol
CID 111976653
4-[[2-[3-(aminomethyl)phenoxy]ethyl-methylamino]methyl]oxan-4-ol
CID 114948588
N-methyl-N-[2-(3-methylphenoxy)ethyl]butan-1-amine
CID 5262030
1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 134031079
N-(1-cyanocyclohexyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 18094806
2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol
CID 79333712
1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid
CID 82086841
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
propyl N-methyl-N-[2-(3-methylphenoxy)ethyl]carbamate
CID 112738751
4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol
CID 115746915

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol (CID 115669684) is 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol is Cc1cccc(OCCN(C)CC2(O)CCCC2)c1.
What is the InChIKey of 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is WVEBQWWKZYQTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-6-5-7-15(12-14)19-11-10-17(2)13-16(18)8-3-4-9-16/h5-7,12,18H,3-4,8-11,13H2,1-2H3.
What are the key properties of 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol?
1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115669684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).