N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine

C19H27ClFNO — CID 153338550

IUPACN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESFc1ccc(C2CCC(CCNC3CCOCC3)CC2)c(Cl)c1
InChIInChI=1S/C19H27ClFNO/c20-19-13-16(21)5-6-18(19)15-3-1-14(2-4-15)7-10-22-17-8-11-23-12-9-17/h5-6,13-15,17,22H,1-4,7-12H2
InChIKeyRPSQVJFJVPFGHB-UHFFFAOYSA-N
MW339.88 g/mol
LogP4.91
Rot. Bonds5

About N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine

N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine (PubChem CID 153338550) has the molecular formula C19H27ClFNO and a molecular weight of 339.88 g/mol. Its IUPAC name is N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
PubChem CID153338550
Molecular FormulaC19H27ClFNO
Molecular Weight339.88 g/mol
Exact Mass339.18
IUPAC NameN-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
SMILESFc1ccc(C2CCC(CCNC3CCOCC3)CC2)c(Cl)c1
InChIInChI=1S/C19H27ClFNO/c20-19-13-16(21)5-6-18(19)15-3-1-14(2-4-15)7-10-22-17-8-11-23-12-9-17/h5-6,13-15,17,22H,1-4,7-12H2
InChIKeyRPSQVJFJVPFGHB-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.88
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3-fluorooxan-4-amine
CID 153087787
N-[2-[4-(2-chloro-6-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338427
N-[2-[4-(4-fluoro-2-methylphenyl)cyclohexyl]ethyl]oxan-4-amine
CID 153338521
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3,3-difluorocyclopentan-1-amine
CID 153338527
4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-3-ol
CID 153338566
4-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]-N-methyloxane-4-carboxamide
CID 153338612
cis-(1S,3R)-N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]-3-fluorocyclopentan-1-amine
CID 153338627
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]cyclopentanamine
CID 155757722
N-[2-[4-(2-chloro-3-fluorophenyl)cyclohexyl]ethyl]-4-(methoxymethyl)oxan-4-amine
CID 147509623
N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]cyclohexanamine
CID 147643024
[4-[2-[4-(2-Chloro-4-fluorophenyl)cyclohexyl]ethylamino]oxan-4-yl]methanol
CID 148217688
N-[2-[4-(2-chloro-5-fluorophenyl)cyclohexyl]ethyl]-1-methylpiperidin-4-amine
CID 148803775

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine (CID 153338550) is N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine is Fc1ccc(C2CCC(CCNC3CCOCC3)CC2)c(Cl)c1.
What is the InChIKey of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine?
The InChIKey is RPSQVJFJVPFGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFNO/c20-19-13-16(21)5-6-18(19)15-3-1-14(2-4-15)7-10-22-17-8-11-23-12-9-17/h5-6,13-15,17,22H,1-4,7-12H2.
What are the key properties of N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine?
N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine has a molecular weight of 339.88 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethyl]oxan-4-amine is sourced from PubChem (CID 153338550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).