N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine

C18H29FN2 — CID 115996957

IUPACN'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
SMILESCCNC(c1ccccc1F)C(C)CN(CC)CC1CC1
InChIInChI=1S/C18H29FN2/c1-4-20-18(16-8-6-7-9-17(16)19)14(3)12-21(5-2)13-15-10-11-15/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3
InChIKeyOMOVVVXHZHOIPJ-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.84
Rot. Bonds9

About N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine

N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine (PubChem CID 115996957) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
PubChem CID115996957
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
SMILESCCNC(c1ccccc1F)C(C)CN(CC)CC1CC1
InChIInChI=1S/C18H29FN2/c1-4-20-18(16-8-6-7-9-17(16)19)14(3)12-21(5-2)13-15-10-11-15/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3
InChIKeyOMOVVVXHZHOIPJ-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 115996955
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
N-ethyl-1-(2-fluorophenyl)-N',2-dimethyl-N'-pentylpropane-1,3-diamine
CID 115996740
N'-ethyl-1-(2-fluorophenyl)-2-methyl-N,N'-dipropylpropane-1,3-diamine
CID 115996717
N'-(2-ethoxyethyl)-N-ethyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115997007
2-[[3-(ethylamino)-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554579
N'-ethyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115996806
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
N-ethyl-1-(2-fluorophenyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 114282092
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
CID 103670661
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine (CID 115996957) is N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine is CCNC(c1ccccc1F)C(C)CN(CC)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
The InChIKey is OMOVVVXHZHOIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-20-18(16-8-6-7-9-17(16)19)14(3)12-21(5-2)13-15-10-11-15/h6-9,14-15,18,20H,4-5,10-13H2,1-3H3.
What are the key properties of N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine has a molecular weight of 292.44 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N,N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115996957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).