N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine

C17H25F2NO — CID 116763465

IUPACN-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C1(OC)CCCCC1
InChIInChI=1S/C17H25F2NO/c1-3-9-20-16(13-10-14(18)12-15(19)11-13)17(21-2)7-5-4-6-8-17/h10-12,16,20H,3-9H2,1-2H3
InChIKeyBDHZCOYTMHDKFB-UHFFFAOYSA-N
MW297.39 g/mol
LogP4.35
Rot. Bonds6

About N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine

N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine (PubChem CID 116763465) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
PubChem CID116763465
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC NameN-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C1(OC)CCCCC1
InChIInChI=1S/C17H25F2NO/c1-3-9-20-16(13-10-14(18)12-15(19)11-13)17(21-2)7-5-4-6-8-17/h10-12,16,20H,3-9H2,1-2H3
InChIKeyBDHZCOYTMHDKFB-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methoxycycloheptyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 116770453
N-[(3,5-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765061
[(3-fluoro-5-methylphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105276174
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714856
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(1-methoxycyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 116763483
N-[(2-chlorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763409
N-[(1-methoxycycloheptyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 116770493
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714786
N-[(2,3-difluorophenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714897

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine (CID 116763465) is N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine is CCCNC(c1cc(F)cc(F)c1)C1(OC)CCCCC1.
What is the InChIKey of N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine?
The InChIKey is BDHZCOYTMHDKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-9-20-16(13-10-14(18)12-15(19)11-13)17(21-2)7-5-4-6-8-17/h10-12,16,20H,3-9H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine?
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 116763465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).