N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine

C16H27FN2 — CID 62257454

IUPACN-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CNC(C)C)c1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-6-19(15-9-7-8-14(17)10-15)12-16(4,5)11-18-13(2)3/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyCXZRTIZAACCOMA-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.68
Rot. Bonds7

About N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine

N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62257454) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62257454
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CNC(C)C)c1cccc(F)c1
InChIInChI=1S/C16H27FN2/c1-6-19(15-9-7-8-14(17)10-15)12-16(4,5)11-18-13(2)3/h7-10,13,18H,6,11-12H2,1-5H3
InChIKeyCXZRTIZAACCOMA-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
methyl 3-(N-ethyl-3-fluoroanilino)-2,2-dimethylpropanoate
CID 79621537
N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192144
N-ethyl-2,2-dimethyl-N'-(2-methylpropyl)-N-phenylpropane-1,3-diamine
CID 55195781
N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63551208
N'-ethyl-N'-(3-fluorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 63502026
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
2-[(3-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62726299
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460526
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
N-tert-butyl-N'-ethyl-N'-(3-fluorophenyl)butane-1,4-diamine
CID 62428482
N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline
CID 66222968

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 62257454) is N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine is CCN(CC(C)(C)CNC(C)C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CXZRTIZAACCOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-6-19(15-9-7-8-14(17)10-15)12-16(4,5)11-18-13(2)3/h7-10,13,18H,6,11-12H2,1-5H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62257454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).