N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine

C18H31FN2 — CID 115996717

IUPACN'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(c1ccccc1F)C(C)CN(CC)CCC
InChIInChI=1S/C18H31FN2/c1-5-12-20-18(16-10-8-9-11-17(16)19)15(4)14-21(7-3)13-6-2/h8-11,15,18,20H,5-7,12-14H2,1-4H3
InChIKeyPREWQEQPTOVDQP-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.23
Rot. Bonds10

About N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine

N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine (PubChem CID 115996717) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
PubChem CID115996717
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC NameN'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
SMILESCCCNC(c1ccccc1F)C(C)CN(CC)CCC
InChIInChI=1S/C18H31FN2/c1-5-12-20-18(16-10-8-9-11-17(16)19)15(4)14-21(7-3)13-6-2/h8-11,15,18,20H,5-7,12-14H2,1-4H3
InChIKeyPREWQEQPTOVDQP-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201
N'-(2-ethoxyethyl)-N-ethyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115997007
N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine
CID 97320003

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine (CID 115996717) is N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine is CCCNC(c1ccccc1F)C(C)CN(CC)CCC.
What is the InChIKey of N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine?
The InChIKey is PREWQEQPTOVDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-5-12-20-18(16-10-8-9-11-17(16)19)15(4)14-21(7-3)13-6-2/h8-11,15,18,20H,5-7,12-14H2,1-4H3.
What are the key properties of N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine?
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine is sourced from PubChem (CID 115996717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).