N-[2-(ethoxymethyl)phenyl]cycloheptanamine

C16H25NO — CID 43750302

IUPACN-[2-(ethoxymethyl)phenyl]cycloheptanamine
SMILESCCOCc1ccccc1NC1CCCCCC1
InChIInChI=1S/C16H25NO/c1-2-18-13-14-9-7-8-12-16(14)17-15-10-5-3-4-6-11-15/h7-9,12,15,17H,2-6,10-11,13H2,1H3
InChIKeyRSXYKJUVJCQBQV-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.36
Rot. Bonds5

About N-[2-(ethoxymethyl)phenyl]cycloheptanamine

N-[2-(ethoxymethyl)phenyl]cycloheptanamine (PubChem CID 43750302) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)phenyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)phenyl]cycloheptanamine
PubChem CID43750302
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(ethoxymethyl)phenyl]cycloheptanamine
SMILESCCOCc1ccccc1NC1CCCCCC1
InChIInChI=1S/C16H25NO/c1-2-18-13-14-9-7-8-12-16(14)17-15-10-5-3-4-6-11-15/h7-9,12,15,17H,2-6,10-11,13H2,1H3
InChIKeyRSXYKJUVJCQBQV-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
2-(ethoxymethyl)-N-(3-methylcyclopentyl)aniline
CID 64500672
N-[2-(ethoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931357
N-cyclohexyl-2-(diethylaminomethyl)aniline
CID 43729330
N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658557
N-[2-(ethoxymethyl)phenyl]-5-methylthiolan-3-amine
CID 79941827
N-[2-(ethoxymethyl)phenyl]-5,5-dimethylthian-3-amine
CID 79958221
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
N-[2-(methoxymethyl)phenyl]-4-propylcycloheptan-1-amine
CID 65086704
N-[2-(methoxymethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084084
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)phenyl]cycloheptanamine?
The IUPAC name of N-[2-(ethoxymethyl)phenyl]cycloheptanamine (CID 43750302) is N-[2-(ethoxymethyl)phenyl]cycloheptanamine.
What is the SMILES notation for N-[2-(ethoxymethyl)phenyl]cycloheptanamine?
The canonical SMILES for N-[2-(ethoxymethyl)phenyl]cycloheptanamine is CCOCc1ccccc1NC1CCCCCC1.
What is the InChIKey of N-[2-(ethoxymethyl)phenyl]cycloheptanamine?
The InChIKey is RSXYKJUVJCQBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-18-13-14-9-7-8-12-16(14)17-15-10-5-3-4-6-11-15/h7-9,12,15,17H,2-6,10-11,13H2,1H3.
What are the key properties of N-[2-(ethoxymethyl)phenyl]cycloheptanamine?
N-[2-(ethoxymethyl)phenyl]cycloheptanamine has a molecular weight of 247.38 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)phenyl]cycloheptanamine is sourced from PubChem (CID 43750302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).