N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine

C16H27FN2 — CID 62435902

IUPACN'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(C)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-14(2)12-18-10-6-7-11-19(3)13-15-8-4-5-9-16(15)17/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3
InChIKeyQLBGPFVWZZMSNM-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.28
Rot. Bonds9

About N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine

N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine (PubChem CID 62435902) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
PubChem CID62435902
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCCCCN(C)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-14(2)12-18-10-6-7-11-19(3)13-15-8-4-5-9-16(15)17/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3
InChIKeyQLBGPFVWZZMSNM-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62436074
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 107951092
N,N,N'-trimethyl-N'-[[2-[(2-methylpropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 63725478
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942
2-methyl-N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]propan-1-amine
CID 115463583
N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
CID 65486366
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine (CID 62435902) is N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine is CC(C)CNCCCCN(C)Cc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is QLBGPFVWZZMSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-14(2)12-18-10-6-7-11-19(3)13-15-8-4-5-9-16(15)17/h4-5,8-9,14,18H,6-7,10-13H2,1-3H3.
What are the key properties of N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine?
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 62435902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).