1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol

C17H27NO2 — CID 60908745

IUPAC1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
SMILESCCOc1cccc(CNCC2(O)CCCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-2-20-16-9-7-8-15(12-16)13-18-14-17(19)10-5-3-4-6-11-17/h7-9,12,18-19H,2-6,10-11,13-14H2,1H3
InChIKeyCNDOXUROCYDVJF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.26
Rot. Bonds6

About 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol

1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol (PubChem CID 60908745) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
PubChem CID60908745
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
SMILESCCOc1cccc(CNCC2(O)CCCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-2-20-16-9-7-8-15(12-16)13-18-14-17(19)10-5-3-4-6-11-17/h7-9,12,18-19H,2-6,10-11,13-14H2,1H3
InChIKeyCNDOXUROCYDVJF-UHFFFAOYSA-N
XLogP3.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-propan-2-yloxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 62866200
1-(3-ethoxyphenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724266
3-[[3-[[(1-hydroxycycloheptyl)methylamino]methyl]phenoxy]methyl]benzonitrile
CID 166209562
1-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 107230629
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 52841333
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
[1-[[(3-propoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358849
4-[[[3-(3-methoxypropoxy)phenyl]methylamino]methyl]oxan-4-ol
CID 119115069

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol (CID 60908745) is 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol is CCOc1cccc(CNCC2(O)CCCCCC2)c1.
What is the InChIKey of 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
The InChIKey is CNDOXUROCYDVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-20-16-9-7-8-15(12-16)13-18-14-17(19)10-5-3-4-6-11-17/h7-9,12,18-19H,2-6,10-11,13-14H2,1H3.
What are the key properties of 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol?
1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-ethoxyphenyl)methylamino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60908745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).