N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C15H25FN2 — CID 107442462

IUPACN'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(F)ccc1CCNCC(CN)C(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)14(9-17)10-18-7-6-13-4-5-15(16)8-12(13)3/h4-5,8,11,14,18H,6-7,9-10,17H2,1-3H3
InChIKeyUEBBCANLRGCKMM-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.50
Rot. Bonds7

About N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442462) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442462
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCc1cc(F)ccc1CCNCC(CN)C(C)C
InChIInChI=1S/C15H25FN2/c1-11(2)14(9-17)10-18-7-6-13-4-5-15(16)8-12(13)3/h4-5,8,11,14,18H,6-7,9-10,17H2,1-3H3
InChIKeyUEBBCANLRGCKMM-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[2-(4-fluoro-2-methylphenyl)ethylamino]propanamide
CID 103257000
N-ethyl-2-[(4-fluoro-2-methylphenyl)methyl]-3-methylbutan-1-amine
CID 114348792
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252515
3,3,3-trifluoro-2-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]propanenitrile
CID 103367404
4-[2-(4-fluoro-2-methylphenyl)ethylamino]-3-hydroxybutanoic acid
CID 103257010
1-[2-(4-fluoro-2-methylphenyl)ethylamino]-2,3-dimethylbutan-2-ol
CID 114493387
2-(4-fluoro-2-methylphenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724029
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 115526630
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560
1-[2-(4-fluoro-2-methylphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 113254028

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 107442462) is N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine is Cc1cc(F)ccc1CCNCC(CN)C(C)C.
What is the InChIKey of N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is UEBBCANLRGCKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-11(2)14(9-17)10-18-7-6-13-4-5-15(16)8-12(13)3/h4-5,8,11,14,18H,6-7,9-10,17H2,1-3H3.
What are the key properties of N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluoro-2-methylphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).