N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine

C14H21F2NO — CID 83107386

IUPACN-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C)cc1C(F)(F)CNCC(C)C
InChIInChI=1S/C14H21F2NO/c1-10(2)8-17-9-14(15,16)12-7-11(3)5-6-13(12)18-4/h5-7,10,17H,8-9H2,1-4H3
InChIKeyDGILBBDSRNHVRU-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.34
Rot. Bonds6

About N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine

N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 83107386) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
PubChem CID83107386
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC NameN-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C)cc1C(F)(F)CNCC(C)C
InChIInChI=1S/C14H21F2NO/c1-10(2)8-17-9-14(15,16)12-7-11(3)5-6-13(12)18-4/h5-7,10,17H,8-9H2,1-4H3
InChIKeyDGILBBDSRNHVRU-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2,2-difluoroethyl]-2-methylpropan-1-amine
CID 83107503
2-(2-methoxy-5-methylphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003662
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
CID 62594384
1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol
CID 115121813
1-(2-methoxy-5-methylphenyl)-2-(2,2,3,3-tetrafluoropropylamino)ethanol
CID 106291344
2-(2-methoxy-4-methylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62451206
N-(bromomethyl)-2-(2-methoxy-5-methylphenyl)-2-methylpropan-1-amine
CID 115262514
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
1-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199715
4-(2-methoxy-5-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 64666050
1-[[2-hydroxy-2-(2-methoxy-5-methylphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 65106127
1-(2-methoxy-4-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 115475920

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine (CID 83107386) is N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine is COc1ccc(C)cc1C(F)(F)CNCC(C)C.
What is the InChIKey of N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is DGILBBDSRNHVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(2)8-17-9-14(15,16)12-7-11(3)5-6-13(12)18-4/h5-7,10,17H,8-9H2,1-4H3.
What are the key properties of N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine?
N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83107386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).