N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine

C16H25NO2 — CID 54864785

IUPACN-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
SMILESCOCCOc1cccc(NC2CCCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-18-11-12-19-16-10-6-9-15(13-16)17-14-7-4-2-3-5-8-14/h6,9-10,13-14,17H,2-5,7-8,11-12H2,1H3
InChIKeyXVVXLOUIQMSYKU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.85
Rot. Bonds6

About N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine

N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine (PubChem CID 54864785) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
PubChem CID54864785
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
SMILESCOCCOc1cccc(NC2CCCCCC2)c1
InChIInChI=1S/C16H25NO2/c1-18-11-12-19-16-10-6-9-15(13-16)17-14-7-4-2-3-5-8-14/h6,9-10,13-14,17H,2-5,7-8,11-12H2,1H3
InChIKeyXVVXLOUIQMSYKU-UHFFFAOYSA-N
XLogP3.85
TPSA30.49 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
N-[3-(2-methoxyethoxy)phenyl]pyrrolidin-3-amine
CID 79731567
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61309747
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
cis-(1S,2R)-2-[[3-(2-methoxyethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41385907
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
N-cyclopentyl-3-phenoxyaniline
CID 55191413
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine?
The IUPAC name of N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine (CID 54864785) is N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine?
The canonical SMILES for N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine is COCCOc1cccc(NC2CCCCCC2)c1.
What is the InChIKey of N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine?
The InChIKey is XVVXLOUIQMSYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-18-11-12-19-16-10-6-9-15(13-16)17-14-7-4-2-3-5-8-14/h6,9-10,13-14,17H,2-5,7-8,11-12H2,1H3.
What are the key properties of N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine?
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine has a molecular weight of 263.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine is sourced from PubChem (CID 54864785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).