N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride

C15H23ClF2N2 — CID 120845420

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride
SMILESCN(Cc1ccc(C(F)F)cc1)C1CCCNCC1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-19(14-3-2-9-18-10-8-14)11-12-4-6-13(7-5-12)15(16)17;/h4-7,14-15,18H,2-3,8-11H2,1H3;1H
InChIKeyNHSGDZWDDFFCJO-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.62
Rot. Bonds4

About N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride

N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride (PubChem CID 120845420) has the molecular formula C15H23ClF2N2 and a molecular weight of 304.81 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride
PubChem CID120845420
Molecular FormulaC15H23ClF2N2
Molecular Weight304.81 g/mol
Exact Mass304.15
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride
SMILESCN(Cc1ccc(C(F)F)cc1)C1CCCNCC1.Cl
InChIInChI=1S/C15H22F2N2.ClH/c1-19(14-3-2-9-18-10-8-14)11-12-4-6-13(7-5-12)15(16)17;/h4-7,14-15,18H,2-3,8-11H2,1H3;1H
InChIKeyNHSGDZWDDFFCJO-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-N-ethylazepan-4-amine;hydrochloride
CID 120844771
4-[[azepan-4-yl(methyl)amino]methyl]benzoic acid
CID 107173321
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110
4-[[azepan-4-yl(methyl)amino]methyl]-2-fluorophenol
CID 107692170
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylazepan-4-amine
CID 104974295
N-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine;hydrochloride
CID 71641683
N-[[4-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624895
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
4-[[4-(difluoromethyl)phenyl]methyl]piperidine
CID 84689877
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]azepan-4-amine
CID 120845518
N-methyl-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]azepan-4-amine
CID 107173415

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride (CID 120845420) is N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride is CN(Cc1ccc(C(F)F)cc1)C1CCCNCC1.Cl.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride?
The InChIKey is NHSGDZWDDFFCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2.ClH/c1-19(14-3-2-9-18-10-8-14)11-12-4-6-13(7-5-12)15(16)17;/h4-7,14-15,18H,2-3,8-11H2,1H3;1H.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride?
N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride has a molecular weight of 304.81 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-N-methylazepan-4-amine;hydrochloride is sourced from PubChem (CID 120845420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).