N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine

C18H29FN2 — CID 43614154

IUPACN-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
SMILESCCNC(C)c1ccc(N(C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C18H29FN2/c1-4-20-14(2)15-11-12-18(17(19)13-15)21(3)16-9-7-5-6-8-10-16/h11-14,16,20H,4-10H2,1-3H3
InChIKeyKRXQXHWDKNUNEM-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.66
Rot. Bonds5

About N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine

N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine (PubChem CID 43614154) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
PubChem CID43614154
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
SMILESCCNC(C)c1ccc(N(C)C2CCCCCC2)c(F)c1
InChIInChI=1S/C18H29FN2/c1-4-20-14(2)15-11-12-18(17(19)13-15)21(3)16-9-7-5-6-8-10-16/h11-14,16,20H,4-10H2,1-3H3
InChIKeyKRXQXHWDKNUNEM-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648817
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N,2-dimethyloxolan-3-amine
CID 82739889
4-[1-(ethylamino)ethyl]-2-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432233
N-[4-(ethylaminomethyl)-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614292
N-cyclopentyl-2-fluoro-N-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 43281747
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63533268
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674
N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284232
4-[1-(ethylamino)ethyl]-2-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63532693
N-benzyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284102
[4-[cyclopentyl(methyl)amino]-3-fluorophenyl]methanol
CID 43267339

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine (CID 43614154) is N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine is CCNC(C)c1ccc(N(C)C2CCCCCC2)c(F)c1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine?
The InChIKey is KRXQXHWDKNUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-20-14(2)15-11-12-18(17(19)13-15)21(3)16-9-7-5-6-8-10-16/h11-14,16,20H,4-10H2,1-3H3.
What are the key properties of N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine?
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine has a molecular weight of 292.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine is sourced from PubChem (CID 43614154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).