N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine

C15H25FN2O — CID 115198929

IUPACN'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
SMILESCOc1ccc(F)cc1C(C)(C)CNCC(C)CN
InChIInChI=1S/C15H25FN2O/c1-11(8-17)9-18-10-15(2,3)13-7-12(16)5-6-14(13)19-4/h5-7,11,18H,8-10,17H2,1-4H3
InChIKeyRFHHIQCJFWWSIF-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.30
Rot. Bonds7

About N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine

N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine (PubChem CID 115198929) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
PubChem CID115198929
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC NameN'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
SMILESCOc1ccc(F)cc1C(C)(C)CNCC(C)CN
InChIInChI=1S/C15H25FN2O/c1-11(8-17)9-18-10-15(2,3)13-7-12(16)5-6-14(13)19-4/h5-7,11,18H,8-10,17H2,1-4H3
InChIKeyRFHHIQCJFWWSIF-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-[[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]amino]propan-2-ol
CID 115121813
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 80502577
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
2-(5-fluoro-2-methoxyphenyl)propane-1,2-diamine
CID 116855541
N-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176113
2-fluoro-2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 112566851
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
1-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199715
2-(2-chloro-4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63036008
N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198523
2-methyl-N'-[2-methyl-2-(3-methylphenyl)propyl]propane-1,3-diamine
CID 115198955

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine?
The IUPAC name of N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine (CID 115198929) is N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine is COc1ccc(F)cc1C(C)(C)CNCC(C)CN.
What is the InChIKey of N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine?
The InChIKey is RFHHIQCJFWWSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-11(8-17)9-18-10-15(2,3)13-7-12(16)5-6-14(13)19-4/h5-7,11,18H,8-10,17H2,1-4H3.
What are the key properties of N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine?
N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine is sourced from PubChem (CID 115198929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).