N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine

C17H27NO2 — CID 43788970

IUPACN-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCCOc1ccc(C(C)NC2CCCCC2OC)cc1
InChIInChI=1S/C17H27NO2/c1-4-20-15-11-9-14(10-12-15)13(2)18-16-7-5-6-8-17(16)19-3/h9-13,16-18H,4-8H2,1-3H3
InChIKeyMLVQVRSSBSDUND-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds6

About N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine

N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 43788970) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID43788970
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCCOc1ccc(C(C)NC2CCCCC2OC)cc1
InChIInChI=1S/C17H27NO2/c1-4-20-15-11-9-14(10-12-15)13(2)18-16-7-5-6-8-17(16)19-3/h9-13,16-18H,4-8H2,1-3H3
InChIKeyMLVQVRSSBSDUND-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[1-(4-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 62086759
2-methoxy-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopentan-1-amine
CID 62087299
N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766679
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81359045
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431
cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 10988624
N-[1-(4-ethoxyphenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64500026
2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81396821
N-[1-(4-ethoxyphenyl)ethyl]thian-4-amine
CID 43233377
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 81371394

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine (CID 43788970) is N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine is CCOc1ccc(C(C)NC2CCCCC2OC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is MLVQVRSSBSDUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-20-15-11-9-14(10-12-15)13(2)18-16-7-5-6-8-17(16)19-3/h9-13,16-18H,4-8H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine?
N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43788970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).