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

C16H27NO — CID 83942664

IUPAC4-(5-ethyl-2-methoxyphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1cc(CC)ccc1OC
InChIInChI=1S/C16H27NO/c1-4-7-14(8-6-11-17)15-12-13(5-2)9-10-16(15)18-3/h9-10,12,14H,4-8,11,17H2,1-3H3
InChIKeyRKPTYBFJJKJIIM-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.88
Rot. Bonds8

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

4-(5-ethyl-2-methoxyphenyl)heptan-1-amine (PubChem CID 83942664) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-(5-ethyl-2-methoxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(5-ethyl-2-methoxyphenyl)heptan-1-amine
PubChem CID83942664
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-(5-ethyl-2-methoxyphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1cc(CC)ccc1OC
InChIInChI=1S/C16H27NO/c1-4-7-14(8-6-11-17)15-12-13(5-2)9-10-16(15)18-3/h9-10,12,14H,4-8,11,17H2,1-3H3
InChIKeyRKPTYBFJJKJIIM-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
4-(2-ethyl-4-methoxyphenyl)heptan-1-amine
CID 83941516
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
5-(5-ethyl-2-methoxyphenyl)heptan-2-one
CID 83942671
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
4-[3-(difluoromethyl)-4-methoxyphenyl]butan-1-amine
CID 117330457
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methoxyphenyl)heptan-1-amine?
The IUPAC name of 4-(5-ethyl-2-methoxyphenyl)heptan-1-amine (CID 83942664) is 4-(5-ethyl-2-methoxyphenyl)heptan-1-amine.
What is the SMILES notation for 4-(5-ethyl-2-methoxyphenyl)heptan-1-amine?
The canonical SMILES for 4-(5-ethyl-2-methoxyphenyl)heptan-1-amine is CCCC(CCCN)c1cc(CC)ccc1OC.
What is the InChIKey of 4-(5-ethyl-2-methoxyphenyl)heptan-1-amine?
The InChIKey is RKPTYBFJJKJIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-7-14(8-6-11-17)15-12-13(5-2)9-10-16(15)18-3/h9-10,12,14H,4-8,11,17H2,1-3H3.
What are the key properties of 4-(5-ethyl-2-methoxyphenyl)heptan-1-amine?
4-(5-ethyl-2-methoxyphenyl)heptan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.88, 8 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)heptan-1-amine is sourced from PubChem (CID 83942664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).