1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine

C15H25FN2 — CID 115346847

IUPAC1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cc(C)ccc1F
InChIInChI=1S/C15H25FN2/c1-5-9-17-15(8-10-18(3)4)13-11-12(2)6-7-14(13)16/h6-7,11,15,17H,5,8-10H2,1-4H3
InChIKeyLNDNGBCEXZSNNI-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.13
Rot. Bonds7

About 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine

1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine (PubChem CID 115346847) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
PubChem CID115346847
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)C)c1cc(C)ccc1F
InChIInChI=1S/C15H25FN2/c1-5-9-17-15(8-10-18(3)4)13-11-12(2)6-7-14(13)16/h6-7,11,15,17H,5,8-10H2,1-4H3
InChIKeyLNDNGBCEXZSNNI-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-dimethyl-1-(4-methylphenyl)-N-propylpropane-1,3-diamine
CID 62618545
1-(2-fluoro-5-methylphenyl)-N-propylbut-3-en-1-amine
CID 116660920
N',N'-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 115346850
N',N'-dimethyl-1-(3-methylphenyl)-N-propylpropane-1,3-diamine
CID 62628527
N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224
N-[2-cyclobutyl-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 115863518
1-(2-fluoro-5-methylphenyl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 79063671
1-(3-bromo-2,6-difluorophenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 106942928
1-(5-fluoro-2-methoxyphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 82770289
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839
1-(2-fluorophenyl)-N'-methyl-N,N'-dipropylpropane-1,3-diamine
CID 62644284
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 105019681

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine (CID 115346847) is 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine is CCCNC(CCN(C)C)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine?
The InChIKey is LNDNGBCEXZSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-5-9-17-15(8-10-18(3)4)13-11-12(2)6-7-14(13)16/h6-7,11,15,17H,5,8-10H2,1-4H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine?
1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 115346847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).