N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline

C16H25FN2 — CID 62609281

IUPACN-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline
SMILESCCC1CCC(N)C(CN(C)c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-3-12-4-9-16(18)13(10-12)11-19(2)15-7-5-14(17)6-8-15/h5-8,12-13,16H,3-4,9-11,18H2,1-2H3
InChIKeyPKFBCPBNVSFZMR-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.42
Rot. Bonds4

About N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline

N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline (PubChem CID 62609281) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline
PubChem CID62609281
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline
SMILESCCC1CCC(N)C(CN(C)c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-3-12-4-9-16(18)13(10-12)11-19(2)15-7-5-14(17)6-8-15/h5-8,12-13,16H,3-4,9-11,18H2,1-2H3
InChIKeyPKFBCPBNVSFZMR-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline (CID 62609281) is N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline is CCC1CCC(N)C(CN(C)c2ccc(F)cc2)C1.
What is the InChIKey of N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline?
The InChIKey is PKFBCPBNVSFZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-12-4-9-16(18)13(10-12)11-19(2)15-7-5-14(17)6-8-15/h5-8,12-13,16H,3-4,9-11,18H2,1-2H3.
What are the key properties of N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline?
N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline has a molecular weight of 264.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-ethylcyclohexyl)methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 62609281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).