4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine

C16H27FN2 — CID 64707610

IUPAC4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)CC(C)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-5-10-18-13(2)11-14(3)19(4)12-15-6-8-16(17)9-7-15/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyJBHXZQWSEZTAIB-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.42
Rot. Bonds8

About 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine

4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine (PubChem CID 64707610) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
PubChem CID64707610
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
SMILESCCCNC(C)CC(C)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H27FN2/c1-5-10-18-13(2)11-14(3)19(4)12-15-6-8-16(17)9-7-15/h6-9,13-14,18H,5,10-12H2,1-4H3
InChIKeyJBHXZQWSEZTAIB-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64708022
1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
3-[(4-fluorophenyl)methyl-methylamino]butanehydrazide
CID 55214641
2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569093
1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855
4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol
CID 64900549
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569094
1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
CID 114834921
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine (CID 64707610) is 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine is CCCNC(C)CC(C)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine?
The InChIKey is JBHXZQWSEZTAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-10-18-13(2)11-14(3)19(4)12-15-6-8-16(17)9-7-15/h6-9,13-14,18H,5,10-12H2,1-4H3.
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine?
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine is sourced from PubChem (CID 64707610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).