N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

C14H22F2N2 — CID 115523961

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H22F2N2/c1-11(2)18(3)9-8-17-10-12-4-6-13(7-5-12)14(15)16/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyZAMWDHCMPGTOPJ-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.05
Rot. Bonds7

About N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine

N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115523961) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID115523961
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H22F2N2/c1-11(2)18(3)9-8-17-10-12-4-6-13(7-5-12)14(15)16/h4-7,11,14,17H,8-10H2,1-3H3
InChIKeyZAMWDHCMPGTOPJ-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.05
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

[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
CID 113365785
N-[[4-(difluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 115523365
N'-methyl-N-[(4-nitrophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634188
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
2-[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenoxy]acetonitrile
CID 62635400
N-[2-[[4-(difluoromethyl)phenyl]methylamino]ethyl]methanesulfonamide
CID 113328290
[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
CID 106045460
1-[[[4-(difluoromethyl)phenyl]methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415633
N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
CID 62635762
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol
CID 113357824
N'-(2-methoxyethyl)-N'-methyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 62843413

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine (CID 115523961) is N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNCc1ccc(C(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is ZAMWDHCMPGTOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-11(2)18(3)9-8-17-10-12-4-6-13(7-5-12)14(15)16/h4-7,11,14,17H,8-10H2,1-3H3.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine?
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115523961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).