N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine

C17H27NO — CID 54896500

IUPACN-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
SMILESCOCc1cccc(CNC2CCCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-19-14-16-9-7-8-15(12-16)13-18-17-10-5-3-2-4-6-11-17/h7-9,12,17-18H,2-6,10-11,13-14H2,1H3
InChIKeyAYLRDRSHAZSFQO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.04
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine

N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine (PubChem CID 54896500) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
PubChem CID54896500
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
SMILESCOCc1cccc(CNC2CCCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-19-14-16-9-7-8-15(12-16)13-18-17-10-5-3-2-4-6-11-17/h7-9,12,17-18H,2-6,10-11,13-14H2,1H3
InChIKeyAYLRDRSHAZSFQO-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[[3-(methoxymethyl)phenyl]methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091019
1-N-[[3-(methoxymethyl)phenyl]methyl]cyclohexane-1,3-diamine
CID 79458112
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
N-[[3-(methoxymethyl)phenyl]methyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428323
N-[[3-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 55077799
N-[[3-(methoxymethyl)phenyl]methyl]-2,6-dimethylcyclohexan-1-amine
CID 54896550
N-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
tert-butyl 4-[[3-(methoxymethyl)phenyl]methylamino]azepane-1-carboxylate
CID 113361531
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine (CID 54896500) is N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine is COCc1cccc(CNC2CCCCCCC2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine?
The InChIKey is AYLRDRSHAZSFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-19-14-16-9-7-8-15(12-16)13-18-17-10-5-3-2-4-6-11-17/h7-9,12,17-18H,2-6,10-11,13-14H2,1H3.
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine?
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine has a molecular weight of 261.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine is sourced from PubChem (CID 54896500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).