4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine

C19H31NO — CID 65083052

IUPAC4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
SMILESCCCOc1cc(C)ccc1NC1CCCC(CC)CC1
InChIInChI=1S/C19H31NO/c1-4-13-21-19-14-15(3)9-12-18(19)20-17-8-6-7-16(5-2)10-11-17/h9,12,14,16-17,20H,4-8,10-11,13H2,1-3H3
InChIKeyRZNULTVQKQYZSJ-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.55
Rot. Bonds6

About 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine

4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine (PubChem CID 65083052) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
PubChem CID65083052
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
SMILESCCCOc1cc(C)ccc1NC1CCCC(CC)CC1
InChIInChI=1S/C19H31NO/c1-4-13-21-19-14-15(3)9-12-18(19)20-17-8-6-7-16(5-2)10-11-17/h9,12,14,16-17,20H,4-8,10-11,13H2,1-3H3
InChIKeyRZNULTVQKQYZSJ-UHFFFAOYSA-N
XLogP5.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine (CID 65083052) is 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine is CCCOc1cc(C)ccc1NC1CCCC(CC)CC1.
What is the InChIKey of 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine?
The InChIKey is RZNULTVQKQYZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-21-19-14-15(3)9-12-18(19)20-17-8-6-7-16(5-2)10-11-17/h9,12,14,16-17,20H,4-8,10-11,13H2,1-3H3.
What are the key properties of 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine?
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65083052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).