1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

C15H23FN2O — CID 63954095

IUPAC1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCCN(CC1CC1)c1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C15H23FN2O/c1-4-18(9-11-5-6-11)14-8-15(19-10(2)3)12(16)7-13(14)17/h7-8,10-11H,4-6,9,17H2,1-3H3
InChIKeyNWHOAKQSCXPNBN-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.43
Rot. Bonds6

About 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63954095) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63954095
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCCN(CC1CC1)c1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C15H23FN2O/c1-4-18(9-11-5-6-11)14-8-15(19-10(2)3)12(16)7-13(14)17/h7-8,10-11H,4-6,9,17H2,1-3H3
InChIKeyNWHOAKQSCXPNBN-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (CID 63954095) is 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is CCN(CC1CC1)c1cc(OC(C)C)c(F)cc1N.
What is the InChIKey of 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is NWHOAKQSCXPNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-4-18(9-11-5-6-11)14-8-15(19-10(2)3)12(16)7-13(14)17/h7-8,10-11H,4-6,9,17H2,1-3H3.
What are the key properties of 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 266.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-1-N-ethyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63954095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).