N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

C18H31FN2 — CID 62643860

IUPACN-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(C)C(C)CC(C)C)c1ccccc1F
InChIInChI=1S/C18H31FN2/c1-6-20-18(16-9-7-8-10-17(16)19)11-12-21(5)15(4)13-14(2)3/h7-10,14-15,18,20H,6,11-13H2,1-5H3
InChIKeyRSBACHNRUPEBMX-UHFFFAOYSA-N
MW294.46 g/mol
LogP4.23
Rot. Bonds9

About N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine

N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (PubChem CID 62643860) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
PubChem CID62643860
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC NameN-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
SMILESCCNC(CCN(C)C(C)CC(C)C)c1ccccc1F
InChIInChI=1S/C18H31FN2/c1-6-20-18(16-9-7-8-10-17(16)19)11-12-21(5)15(4)13-14(2)3/h7-10,14-15,18,20H,6,11-13H2,1-5H3
InChIKeyRSBACHNRUPEBMX-UHFFFAOYSA-N
XLogP4.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644486
1-(2-bromophenyl)-N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 63495417
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644105
N'-(cyclopentylmethyl)-N-ethyl-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63633032
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62558241
1-(2-bromophenyl)-N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 62630308
N'-cyclopropyl-N-ethyl-1-(2-fluorophenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 62642973
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
[1-(2-fluorophenyl)-3-methylbutyl]hydrazine
CID 105198906
1-(2-bromophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 62624168
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine (CID 62643860) is N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is CCNC(CCN(C)C(C)CC(C)C)c1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
The InChIKey is RSBACHNRUPEBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-6-20-18(16-9-7-8-10-17(16)19)11-12-21(5)15(4)13-14(2)3/h7-10,14-15,18,20H,6,11-13H2,1-5H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine?
N-ethyl-1-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine has a molecular weight of 294.46 g/mol, XLogP of 4.23, 9 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'-methyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 62643860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).