N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine

C17H27NO — CID 63474204

IUPACN-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine
SMILESCCNC1CCCCCC1Oc1cccc(CC)c1
InChIInChI=1S/C17H27NO/c1-3-14-9-8-10-15(13-14)19-17-12-7-5-6-11-16(17)18-4-2/h8-10,13,16-18H,3-7,11-12H2,1-2H3
InChIKeyCUFUPHQRWHJXGX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds5

About N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine

N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine (PubChem CID 63474204) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine
PubChem CID63474204
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine
SMILESCCNC1CCCCCC1Oc1cccc(CC)c1
InChIInChI=1S/C17H27NO/c1-3-14-9-8-10-15(13-14)19-17-12-7-5-6-11-16(17)18-4-2/h8-10,13,16-18H,3-7,11-12H2,1-2H3
InChIKeyCUFUPHQRWHJXGX-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-ethylphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 63475434
trans-(1R,2R)-2-(3-ethylphenoxy)cyclohexan-1-ol
CID 102732466
(3-ethylphenoxy)cyclooctane
CID 91220327
N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine
CID 107664408
N-ethyl-3-(3-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66359016
trans-(1R,2R)-N-ethyl-2-phenylmethoxycyclohexan-1-amine
CID 129030197
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-[3-(3-ethylphenoxy)propyl]cyclohexanamine
CID 62598986
1-(cyclohexylmethoxy)-3-ethylbenzene
CID 64765854
cis-(1R,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
CID 99856434
trans-(1S,2S)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(3-methylphenoxy)cyclohexan-1-amine
CID 99856435
2-(3-ethylphenoxy)piperidine
CID 91241218

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine (CID 63474204) is N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine is CCNC1CCCCCC1Oc1cccc(CC)c1.
What is the InChIKey of N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine?
The InChIKey is CUFUPHQRWHJXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-14-9-8-10-15(13-14)19-17-12-7-5-6-11-16(17)18-4-2/h8-10,13,16-18H,3-7,11-12H2,1-2H3.
What are the key properties of N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine?
N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine is sourced from PubChem (CID 63474204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).