4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine

C17H27NO — CID 65084477

IUPAC4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
SMILESCCC1CCCC(Nc2cccc(COC)c2)CC1
InChIInChI=1S/C17H27NO/c1-3-14-6-4-8-16(11-10-14)18-17-9-5-7-15(12-17)13-19-2/h5,7,9,12,14,16,18H,3-4,6,8,10-11,13H2,1-2H3
InChIKeyXMXAPMFTHNVNNY-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.60
Rot. Bonds5

About 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine

4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine (PubChem CID 65084477) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
PubChem CID65084477
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine
SMILESCCC1CCCC(Nc2cccc(COC)c2)CC1
InChIInChI=1S/C17H27NO/c1-3-14-6-4-8-16(11-10-14)18-17-9-5-7-15(12-17)13-19-2/h5,7,9,12,14,16,18H,3-4,6,8,10-11,13H2,1-2H3
InChIKeyXMXAPMFTHNVNNY-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
N-[3-(methoxymethyl)phenyl]-1-methylazepan-4-amine
CID 65070554
N-(3-methoxycyclobutyl)-3-(methoxymethyl)aniline
CID 104870383
4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65083445
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
N-[3-(methoxymethyl)phenyl]-1-propan-2-ylazepan-4-amine
CID 65074545
2-[3-[(4-ethylcycloheptyl)amino]phenoxy]acetonitrile
CID 65084149
trans-(1S,2S)-2-[3-(methoxymethyl)anilino]cyclopentan-1-ol
CID 94220643
3-(methoxymethyl)-N-(2-methylcyclopentyl)aniline
CID 65044502
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
N-cyclohexyl-3-ethylaniline
CID 11009024
2-[3-[(4-ethylcyclohexyl)amino]phenoxy]acetonitrile
CID 43721135

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine (CID 65084477) is 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine is CCC1CCCC(Nc2cccc(COC)c2)CC1.
What is the InChIKey of 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine?
The InChIKey is XMXAPMFTHNVNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-6-4-8-16(11-10-14)18-17-9-5-7-15(12-17)13-19-2/h5,7,9,12,14,16,18H,3-4,6,8,10-11,13H2,1-2H3.
What are the key properties of 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine?
4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(methoxymethyl)phenyl]cycloheptan-1-amine is sourced from PubChem (CID 65084477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).