2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline

C20H20ClNO — CID 54856236

IUPAC2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
SMILESCOc1ccc2cc(C(C)CNc3ccccc3Cl)ccc2c1
InChIInChI=1S/C20H20ClNO/c1-14(13-22-20-6-4-3-5-19(20)21)15-7-8-17-12-18(23-2)10-9-16(17)11-15/h3-12,14,22H,13H2,1-2H3
InChIKeyCMJBNQKLBLTJOT-UHFFFAOYSA-N
MW325.84 g/mol
LogP5.72
Rot. Bonds5

About 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline

2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline (PubChem CID 54856236) has the molecular formula C20H20ClNO and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
PubChem CID54856236
Molecular FormulaC20H20ClNO
Molecular Weight325.84 g/mol
Exact Mass325.12
IUPAC Name2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline
SMILESCOc1ccc2cc(C(C)CNc3ccccc3Cl)ccc2c1
InChIInChI=1S/C20H20ClNO/c1-14(13-22-20-6-4-3-5-19(20)21)15-7-8-17-12-18(23-2)10-9-16(17)11-15/h3-12,14,22H,13H2,1-2H3
InChIKeyCMJBNQKLBLTJOT-UHFFFAOYSA-N
XLogP5.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.84
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline?
The IUPAC name of 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline (CID 54856236) is 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline.
What is the SMILES notation for 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline?
The canonical SMILES for 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline is COc1ccc2cc(C(C)CNc3ccccc3Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline?
The InChIKey is CMJBNQKLBLTJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO/c1-14(13-22-20-6-4-3-5-19(20)21)15-7-8-17-12-18(23-2)10-9-16(17)11-15/h3-12,14,22H,13H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline?
2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline has a molecular weight of 325.84 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(6-methoxynaphthalen-2-yl)propyl]aniline is sourced from PubChem (CID 54856236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).