N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C23H30ClN3O — CID 10763496

IUPACN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2
InChIInChI=1S/C23H30ClN3O/c1-28-21-10-5-18-3-2-4-23(22(18)17-21)25-11-12-26-13-15-27(16-14-26)20-8-6-19(24)7-9-20/h5-10,17,23,25H,2-4,11-16H2,1H3
InChIKeyMFLTUPXICJHQFA-UHFFFAOYSA-N
MW399.97 g/mol
LogP4.14
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 10763496) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID10763496
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC NameN-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2
InChIInChI=1S/C23H30ClN3O/c1-28-21-10-5-18-3-2-4-23(22(18)17-21)25-11-12-26-13-15-27(16-14-26)20-8-6-19(24)7-9-20/h5-10,17,23,25H,2-4,11-16H2,1H3
InChIKeyMFLTUPXICJHQFA-UHFFFAOYSA-N
XLogP4.14
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 10763496) is N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MFLTUPXICJHQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-28-21-10-5-18-3-2-4-23(22(18)17-21)25-11-12-26-13-15-27(16-14-26)20-8-6-19(24)7-9-20/h5-10,17,23,25H,2-4,11-16H2,1H3.
What are the key properties of N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 399.97 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 10763496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).