N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine

C17H29FN2 — CID 115996733

IUPACN'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
SMILESCCC(C)N(CC)CC(C)C(NC)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-6-14(4)20(7-2)12-13(3)17(19-5)15-10-8-9-11-16(15)18/h8-11,13-14,17,19H,6-7,12H2,1-5H3
InChIKeyBTZMERMCMSJKTP-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.84
Rot. Bonds8

About N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine

N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine (PubChem CID 115996733) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
PubChem CID115996733
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
SMILESCCC(C)N(CC)CC(C)C(NC)c1ccccc1F
InChIInChI=1S/C17H29FN2/c1-6-14(4)20(7-2)12-13(3)17(19-5)15-10-8-9-11-16(15)18/h8-11,13-14,17,19H,6-7,12H2,1-5H3
InChIKeyBTZMERMCMSJKTP-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 115996979
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 115996737
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115996833
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
1-(2-fluorophenyl)-N'-(3-methoxypropyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115996926
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115997000
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115996809

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine (CID 115996733) is N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine is CCC(C)N(CC)CC(C)C(NC)c1ccccc1F.
What is the InChIKey of N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine?
The InChIKey is BTZMERMCMSJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-6-14(4)20(7-2)12-13(3)17(19-5)15-10-8-9-11-16(15)18/h8-11,13-14,17,19H,6-7,12H2,1-5H3.
What are the key properties of N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine?
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine has a molecular weight of 280.43 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115996733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).