4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine

C18H29NO — CID 65083589

IUPAC4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine
SMILESCCC1CCCC(NCc2ccccc2COC)CC1
InChIInChI=1S/C18H29NO/c1-3-15-7-6-10-18(12-11-15)19-13-16-8-4-5-9-17(16)14-20-2/h4-5,8-9,15,18-19H,3,6-7,10-14H2,1-2H3
InChIKeyAOTVMHJDUUZMJE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.28
Rot. Bonds6

About 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine

4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine (PubChem CID 65083589) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine
PubChem CID65083589
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine
SMILESCCC1CCCC(NCc2ccccc2COC)CC1
InChIInChI=1S/C18H29NO/c1-3-15-7-6-10-18(12-11-15)19-13-16-8-4-5-9-17(16)14-20-2/h4-5,8-9,15,18-19H,3,6-7,10-14H2,1-2H3
InChIKeyAOTVMHJDUUZMJE-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]thian-4-amine
CID 60743823
N-[[2-(methoxymethyl)phenyl]methyl]-1-propan-2-ylazepan-4-amine
CID 65073415
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843
N-[2-(methoxymethyl)phenyl]-4-propylcycloheptan-1-amine
CID 65086704
4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[(4-bromophenyl)methyl]-4-ethylcycloheptan-1-amine
CID 65082609
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
CID 65084477

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine (CID 65083589) is 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine is CCC1CCCC(NCc2ccccc2COC)CC1.
What is the InChIKey of 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine?
The InChIKey is AOTVMHJDUUZMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-15-7-6-10-18(12-11-15)19-13-16-8-4-5-9-17(16)14-20-2/h4-5,8-9,15,18-19H,3,6-7,10-14H2,1-2H3.
What are the key properties of 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine?
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine is sourced from PubChem (CID 65083589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).