N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine

C13H18F3N — CID 71036850

IUPACN,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine
SMILESCCC(c1ccc(CN(C)C)cc1)C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-4-12(13(14,15)16)11-7-5-10(6-8-11)9-17(2)3/h5-8,12H,4,9H2,1-3H3
InChIKeyYLBFCQCMZZYOIQ-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.80
Rot. Bonds4

About N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine

N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine (PubChem CID 71036850) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine
PubChem CID71036850
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine
SMILESCCC(c1ccc(CN(C)C)cc1)C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-4-12(13(14,15)16)11-7-5-10(6-8-11)9-17(2)3/h5-8,12H,4,9H2,1-3H3
InChIKeyYLBFCQCMZZYOIQ-UHFFFAOYSA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[4-[(dimethylamino)methyl]phenyl]phenyl]butanal
CID 87556664
1-[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 55283672
ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 143652476
8-N-[[4-(1,1,1-trifluorobutan-2-yl)phenyl]methyl]tetradecane-3,4,7,8,11,12-hexamine
CID 59685767
(4-tert-butylphenyl)-[4-[(dimethylamino)methyl]phenyl]methanamine
CID 82106116
1,2-bis[4-[(dimethylamino)methyl]phenyl]ethanamine
CID 159823067
N,N-dimethyl-1-[4-(1-phenylethyl)phenyl]methanamine
CID 83382566
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
2-[4-[(dimethylamino)methyl]phenyl]propanal
CID 174405689
N-[2-[4-[(dimethylamino)methyl]phenyl]propyl]-2-methylpropan-2-amine
CID 105346680
1-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-N,N-dimethylmethanamine
CID 145011453
1-[4-[5-[4-(chloromethyl)phenyl]hexan-2-yl]phenyl]-N,N-dimethylmethanamine
CID 59871720

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine (CID 71036850) is N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine is CCC(c1ccc(CN(C)C)cc1)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine?
The InChIKey is YLBFCQCMZZYOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-4-12(13(14,15)16)11-7-5-10(6-8-11)9-17(2)3/h5-8,12H,4,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine?
N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine has a molecular weight of 245.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(1,1,1-trifluorobutan-2-yl)phenyl]methanamine is sourced from PubChem (CID 71036850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).