N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine

C15H25FN2 — CID 61412231

IUPACN'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
SMILESCC(C)NCCCCN(C)Cc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-13(2)17-10-6-7-11-18(3)12-14-8-4-5-9-15(14)16/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3
InChIKeyPKEYOWKLGFKTOP-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.04
Rot. Bonds8

About N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine

N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine (PubChem CID 61412231) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
PubChem CID61412231
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
SMILESCC(C)NCCCCN(C)Cc1ccccc1F
InChIInChI=1S/C15H25FN2/c1-13(2)17-10-6-7-11-18(3)12-14-8-4-5-9-15(14)16/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3
InChIKeyPKEYOWKLGFKTOP-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.04
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'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62435902
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61417488
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62437144
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 55070560
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
3-methoxy-N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115464039
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55072069
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
CID 81079897
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine (CID 61412231) is N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine is CC(C)NCCCCN(C)Cc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine?
The InChIKey is PKEYOWKLGFKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-13(2)17-10-6-7-11-18(3)12-14-8-4-5-9-15(14)16/h4-5,8-9,13,17H,6-7,10-12H2,1-3H3.
What are the key properties of N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine?
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.04, 8 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-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 61412231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).