N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine

C18H24FN — CID 144947537

IUPACN-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(C)(F)CN(CC1=CCCC=C1)Cc1ccccc1
InChIInChI=1S/C18H24FN/c1-18(2,19)15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3,5-7,9-12H,4,8,13-15H2,1-2H3
InChIKeyMIXDJWPCRZMKHB-UHFFFAOYSA-N
MW273.39 g/mol
LogP4.51
Rot. Bonds6

About N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine

N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 144947537) has the molecular formula C18H24FN and a molecular weight of 273.39 g/mol. Its IUPAC name is N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine
PubChem CID144947537
Molecular FormulaC18H24FN
Molecular Weight273.39 g/mol
Exact Mass273.19
IUPAC NameN-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(C)(F)CN(CC1=CCCC=C1)Cc1ccccc1
InChIInChI=1S/C18H24FN/c1-18(2,19)15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3,5-7,9-12H,4,8,13-15H2,1-2H3
InChIKeyMIXDJWPCRZMKHB-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-3,3-dimethyloctan-1-amine
CID 167079901
cyclohexa-1,5-dien-1-ylmethylbenzene;ethane
CID 143782404
4-[[(4-aminophenyl)methyl-(cyclohexa-1,5-dien-1-ylmethyl)amino]methyl]aniline
CID 138547605
N,N-dibenzyl-2-fluoro-2-propylpentan-1-amine
CID 122491448
N,N-dibenzylcyclohexa-1,5-dien-1-amine
CID 142853635
1-N,1-N-dibenzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847858
N-benzyl-1-cyclohexa-1,5-dien-1-ylmethanesulfonamide
CID 143113229
2-methylcyclohexa-1,3-diene;1,1,1-trifluoroethane
CID 144521653
N-benzyl-N-(2-cyclohexa-1,5-dien-1-ylethyl)-5-(4-phenylbutoxy)pentan-1-amine
CID 57098648
4-[[cyclohexa-1,5-dien-1-ylmethyl-[[4-(dimethylamino)cyclohexa-1,3-dien-1-yl]methyl]amino]methyl]-N,N-dimethylaniline
CID 138547633
3-(dibenzylamino)-2,2-difluoropropanal
CID 139388979
(cyclohexa-1,5-dien-1-ylmethyltrisulfanyl)methylbenzene
CID 143979079

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine (CID 144947537) is N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine is CC(C)(F)CN(CC1=CCCC=C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is MIXDJWPCRZMKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c1-18(2,19)15-20(13-16-9-5-3-6-10-16)14-17-11-7-4-8-12-17/h3,5-7,9-12H,4,8,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine?
N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 273.39 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 144947537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).