1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine

C18H23FN2 — CID 107519933

IUPAC1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1cccc(CN(C)C(C)C(N)c2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2/c1-13-5-4-6-15(11-13)12-21(3)14(2)18(20)16-7-9-17(19)10-8-16/h4-11,14,18H,12,20H2,1-3H3
InChIKeyNIPTYZTXXFZIQS-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine

1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine (PubChem CID 107519933) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
PubChem CID107519933
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
SMILESCc1cccc(CN(C)C(C)C(N)c2ccc(F)cc2)c1
InChIInChI=1S/C18H23FN2/c1-13-5-4-6-15(11-13)12-21(3)14(2)18(20)16-7-9-17(19)10-8-16/h4-11,14,18H,12,20H2,1-3H3
InChIKeyNIPTYZTXXFZIQS-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-1-(4-methylphenyl)-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61414435
1-N,3-N,2-trimethyl-3-N-[(3-methylphenyl)methyl]butane-1,3-diamine
CID 79414588
formaldehyde;N-methyl-N-[(3-methylphenyl)methyl]propan-2-amine
CID 143158010
1-(4-fluoro-3-methylphenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62121136
2-[4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]propan-1-amine
CID 105346309
(1R)-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 28622798
3,3,3-trifluoro-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine
CID 61413979
3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine
CID 79414838
1-(3-chloro-4-fluorophenyl)-N-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 81146872
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 104710864
1-(4-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]propan-1-amine
CID 43225746
2-N-methyl-2-N-[(3-methylphenyl)methyl]pentane-1,2-diamine
CID 61414077

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine (CID 107519933) is 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine is Cc1cccc(CN(C)C(C)C(N)c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
The InChIKey is NIPTYZTXXFZIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-13-5-4-6-15(11-13)12-21(3)14(2)18(20)16-7-9-17(19)10-8-16/h4-11,14,18H,12,20H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine?
1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-N-methyl-2-N-[(3-methylphenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 107519933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).