1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine

C15H29F2NO — CID 105185078

IUPAC1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C(C)CCOC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H29F2NO/c1-4-10-18-14(12(2)7-11-19-3)13-5-8-15(16,17)9-6-13/h12-14,18H,4-11H2,1-3H3
InChIKeyUUKSLYVZSNTKSU-UHFFFAOYSA-N
MW277.40 g/mol
LogP3.85
Rot. Bonds8

About 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine

1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 105185078) has the molecular formula C15H29F2NO and a molecular weight of 277.40 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
PubChem CID105185078
Molecular FormulaC15H29F2NO
Molecular Weight277.40 g/mol
Exact Mass277.22
IUPAC Name1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C(C)CCOC)C1CCC(F)(F)CC1
InChIInChI=1S/C15H29F2NO/c1-4-10-18-14(12(2)7-11-19-3)13-5-8-15(16,17)9-6-13/h12-14,18H,4-11H2,1-3H3
InChIKeyUUKSLYVZSNTKSU-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine (CID 105185078) is 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine is CCCNC(C(C)CCOC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is UUKSLYVZSNTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO/c1-4-10-18-14(12(2)7-11-19-3)13-5-8-15(16,17)9-6-13/h12-14,18H,4-11H2,1-3H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine?
1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 277.40 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 105185078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).