4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline

C15H23FN2 — CID 63783457

IUPAC4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
SMILESCN(CC1CCCC1)c1ccc(CCN)cc1F
InChIInChI=1S/C15H23FN2/c1-18(11-13-4-2-3-5-13)15-7-6-12(8-9-17)10-14(15)16/h6-7,10,13H,2-5,8-9,11,17H2,1H3
InChIKeyDTYJHHRWXJZJAS-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds5

About 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline

4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline (PubChem CID 63783457) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
PubChem CID63783457
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
SMILESCN(CC1CCCC1)c1ccc(CCN)cc1F
InChIInChI=1S/C15H23FN2/c1-18(11-13-4-2-3-5-13)15-7-6-12(8-9-17)10-14(15)16/h6-7,10,13H,2-5,8-9,11,17H2,1H3
InChIKeyDTYJHHRWXJZJAS-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline (CID 63783457) is 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline is CN(CC1CCCC1)c1ccc(CCN)cc1F.
What is the InChIKey of 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
The InChIKey is DTYJHHRWXJZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-18(11-13-4-2-3-5-13)15-7-6-12(8-9-17)10-14(15)16/h6-7,10,13H,2-5,8-9,11,17H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline?
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline has a molecular weight of 250.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 63783457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).