4-(5-ethyl-2-methoxyphenyl)pentan-1-amine

C14H23NO — CID 112512089

IUPAC4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
SMILESCCc1ccc(OC)c(C(C)CCCN)c1
InChIInChI=1S/C14H23NO/c1-4-12-7-8-14(16-3)13(10-12)11(2)6-5-9-15/h7-8,10-11H,4-6,9,15H2,1-3H3
InChIKeyMRBMDACPHIKPPV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.10
Rot. Bonds6

About 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine

4-(5-ethyl-2-methoxyphenyl)pentan-1-amine (PubChem CID 112512089) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
PubChem CID112512089
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
SMILESCCc1ccc(OC)c(C(C)CCCN)c1
InChIInChI=1S/C14H23NO/c1-4-12-7-8-14(16-3)13(10-12)11(2)6-5-9-15/h7-8,10-11H,4-6,9,15H2,1-3H3
InChIKeyMRBMDACPHIKPPV-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-ethyl-2-methoxyphenyl)heptan-1-amine
CID 83942664
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
4-[2-methoxy-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 83921087
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
4-(2,5-diethoxyphenyl)pentan-1-amine
CID 83942835
4-(2-chloro-4,5-dimethoxyphenyl)pentan-1-amine
CID 83943624
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine?
The IUPAC name of 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine (CID 112512089) is 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine.
What is the SMILES notation for 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine?
The canonical SMILES for 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine is CCc1ccc(OC)c(C(C)CCCN)c1.
What is the InChIKey of 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine?
The InChIKey is MRBMDACPHIKPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-12-7-8-14(16-3)13(10-12)11(2)6-5-9-15/h7-8,10-11H,4-6,9,15H2,1-3H3.
What are the key properties of 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine?
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methoxyphenyl)pentan-1-amine is sourced from PubChem (CID 112512089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).