N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine

C18H29FN2 — CID 115996955

IUPACN-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
SMILESCCNC(c1ccccc1F)C(C)CN(C)CC1CC1C
InChIInChI=1S/C18H29FN2/c1-5-20-18(16-8-6-7-9-17(16)19)14(3)11-21(4)12-15-10-13(15)2/h6-9,13-15,18,20H,5,10-12H2,1-4H3
InChIKeyVCSCVLDADDLJAI-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.70
Rot. Bonds8

About N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine

N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine (PubChem CID 115996955) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
PubChem CID115996955
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
SMILESCCNC(c1ccccc1F)C(C)CN(C)CC1CC1C
InChIInChI=1S/C18H29FN2/c1-5-20-18(16-8-6-7-9-17(16)19)14(3)11-21(4)12-15-10-13(15)2/h6-9,13-15,18,20H,5,10-12H2,1-4H3
InChIKeyVCSCVLDADDLJAI-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 115996957
N'-(2-ethoxyethyl)-N-ethyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115997007
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554579
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 114282092
N-[(2-fluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65421935
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine (CID 115996955) is N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine is CCNC(c1ccccc1F)C(C)CN(C)CC1CC1C.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
The InChIKey is VCSCVLDADDLJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-20-18(16-8-6-7-9-17(16)19)14(3)11-21(4)12-15-10-13(15)2/h6-9,13-15,18,20H,5,10-12H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine?
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine has a molecular weight of 292.44 g/mol, XLogP of 3.70, 8 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)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115996955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).